3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine

C16H25NO — CID 104591432

IUPAC3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCC(C)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyVDJWCBAWTHVTBQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds5

About 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine

3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine (PubChem CID 104591432) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
PubChem CID104591432
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCC(C)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyVDJWCBAWTHVTBQ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile
CID 114119351
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105350983
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine (CID 104591432) is 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine is COC1CCCC(NCC(C)c2ccccc2)C1.
What is the InChIKey of 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine?
The InChIKey is VDJWCBAWTHVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)12-17-15-9-6-10-16(11-15)18-2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine?
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 104591432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).