N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

C21H25NO — CID 144986914

IUPACN-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(c1ccc(OCC2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO/c1-22(20-9-8-17-4-2-3-5-18(17)14-20)19-10-12-21(13-11-19)23-15-16-6-7-16/h8-14,16H,2-7,15H2,1H3
InChIKeyDDPVGJCHCVOBQY-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.12
Rot. Bonds5

About N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 144986914) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID144986914
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(c1ccc(OCC2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO/c1-22(20-9-8-17-4-2-3-5-18(17)14-20)19-10-12-21(13-11-19)23-15-16-6-7-16/h8-14,16H,2-7,15H2,1H3
InChIKeyDDPVGJCHCVOBQY-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-methylcarbamate;N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 144987257
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987112
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
N-(3-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987034
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
4-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-ol
CID 63465955
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062389
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 144986914) is N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(c1ccc(OCC2CC2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is DDPVGJCHCVOBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22(20-9-8-17-4-2-3-5-18(17)14-20)19-10-12-21(13-11-19)23-15-16-6-7-16/h8-14,16H,2-7,15H2,1H3.
What are the key properties of N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 307.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 144986914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).