(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine

C16H26N2O2 — CID 9161144

IUPAC(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](CN)N2CCCCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-8-7-13(11-16(15)20-2)14(12-17)18-9-5-3-4-6-10-18/h7-8,11,14H,3-6,9-10,12,17H2,1-2H3/t14-/m0/s1
InChIKeyORMKZJKPZHAGHI-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine

(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 9161144) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID9161144
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](CN)N2CCCCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-8-7-13(11-16(15)20-2)14(12-17)18-9-5-3-4-6-10-18/h7-8,11,14H,3-6,9-10,12,17H2,1-2H3/t14-/m0/s1
InChIKeyORMKZJKPZHAGHI-AWEZNQCLSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-thiomorpholin-4-ylethanamine
CID 43105259
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
4-(2-amino-1-pyrrolidin-1-ylethyl)-2-bromo-6-methoxyphenol
CID 16792754
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
CID 110826980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine (CID 9161144) is (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc([C@H](CN)N2CCCCCC2)cc1OC.
What is the InChIKey of (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is ORMKZJKPZHAGHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-8-7-13(11-16(15)20-2)14(12-17)18-9-5-3-4-6-10-18/h7-8,11,14H,3-6,9-10,12,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 9161144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).