2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine

C16H26N2 — CID 62392801

IUPAC2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCCCCC1
InChIInChI=1S/C16H26N2/c1-2-14-9-5-6-10-15(14)16(13-17)18-11-7-3-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13,17H2,1H3
InChIKeyXKDKFUXNOVUFGU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

About 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine

2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine (PubChem CID 62392801) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
PubChem CID62392801
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCCCCC1
InChIInChI=1S/C16H26N2/c1-2-14-9-5-6-10-15(14)16(13-17)18-11-7-3-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13,17H2,1H3
InChIKeyXKDKFUXNOVUFGU-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 64526440
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62414478
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537626
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine (CID 62392801) is 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine is CCc1ccccc1C(CN)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine?
The InChIKey is XKDKFUXNOVUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-9-5-6-10-15(14)16(13-17)18-11-7-3-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13,17H2,1H3.
What are the key properties of 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine?
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine is sourced from PubChem (CID 62392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).