2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine

C17H28N2O — CID 65283416

IUPAC2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2)9-4-11-19(12-10-17)16(13-18)14-5-7-15(20-3)8-6-14/h5-8,16H,4,9-13,18H2,1-3H3
InChIKeyMXAKWZDRAQTQSU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds4

About 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine

2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 65283416) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID65283416
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2)9-4-11-19(12-10-17)16(13-18)14-5-7-15(20-3)8-6-14/h5-8,16H,4,9-13,18H2,1-3H3
InChIKeyMXAKWZDRAQTQSU-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
1-[2-amino-1-(4-chlorophenyl)ethyl]-4-methylazepan-4-ol
CID 107403850
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine (CID 65283416) is 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCCC(C)(C)CC2)cc1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is MXAKWZDRAQTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2)9-4-11-19(12-10-17)16(13-18)14-5-7-15(20-3)8-6-14/h5-8,16H,4,9-13,18H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine?
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65283416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).