2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C25H29NO — CID 147385528

IUPAC2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H29NO/c27-25(22-12-11-19-3-1-2-4-21(19)14-22)13-17-7-9-20(10-8-17)23-15-24(23)26-16-18-5-6-18/h7-12,14,18,23-24,26H,1-6,13,15-16H2
InChIKeyDLUYFFLJQOSYKJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.85
Rot. Bonds7

About 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 147385528) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID147385528
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H29NO/c27-25(22-12-11-19-3-1-2-4-21(19)14-22)13-17-7-9-20(10-8-17)23-15-24(23)26-16-18-5-6-18/h7-12,14,18,23-24,26H,1-6,13,15-16H2
InChIKeyDLUYFFLJQOSYKJ-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone with MolForge

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Related Compounds

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
CID 159215785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 147385528) is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is DLUYFFLJQOSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c27-25(22-12-11-19-3-1-2-4-21(19)14-22)13-17-7-9-20(10-8-17)23-15-24(23)26-16-18-5-6-18/h7-12,14,18,23-24,26H,1-6,13,15-16H2.
What are the key properties of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 359.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 147385528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).