(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine

C17H27NO — CID 81375787

IUPAC(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14(16-10-7-11-17(12-16)19-2)18-13-15-8-5-3-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyABSKTXUGGJCSEN-CQSZACIVSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds5

About (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81375787) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81375787
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14(16-10-7-11-17(12-16)19-2)18-13-15-8-5-3-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyABSKTXUGGJCSEN-CQSZACIVSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81375787) is (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCC2CCCCCC2)c1.
What is the InChIKey of (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is ABSKTXUGGJCSEN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(16-10-7-11-17(12-16)19-2)18-13-15-8-5-3-4-6-9-15/h7,10-12,14-15,18H,3-6,8-9,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81375787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).