N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine

C18H29NO — CID 62724376

IUPACN-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccccc1CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H29NO/c1-15(2)19-14-18(11-7-4-8-12-18)13-16-9-5-6-10-17(16)20-3/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3
InChIKeyGDHYBOOWOSJHJO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds6

About N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62724376) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62724376
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccccc1CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H29NO/c1-15(2)19-14-18(11-7-4-8-12-18)13-16-9-5-6-10-17(16)20-3/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3
InChIKeyGDHYBOOWOSJHJO-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 62724376) is N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine is COc1ccccc1CC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is GDHYBOOWOSJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)19-14-18(11-7-4-8-12-18)13-16-9-5-6-10-17(16)20-3/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62724376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).