2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

C16H27N3 — CID 62392810

IUPAC2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCCN(C)CC1
InChIInChI=1S/C16H27N3/c1-3-14-7-4-5-8-15(14)16(13-17)19-10-6-9-18(2)11-12-19/h4-5,7-8,16H,3,6,9-13,17H2,1-2H3
InChIKeyQYAQICKASAVPNZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (PubChem CID 62392810) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
PubChem CID62392810
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCCN(C)CC1
InChIInChI=1S/C16H27N3/c1-3-14-7-4-5-8-15(14)16(13-17)19-10-6-9-18(2)11-12-19/h4-5,7-8,16H,3,6,9-13,17H2,1-2H3
InChIKeyQYAQICKASAVPNZ-UHFFFAOYSA-N
XLogP1.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
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-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
CID 43209319
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
CID 64575514
3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 64526440

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (CID 62392810) is 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is CCc1ccccc1C(CN)N1CCCN(C)CC1.
What is the InChIKey of 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The InChIKey is QYAQICKASAVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14-7-4-5-8-15(14)16(13-17)19-10-6-9-18(2)11-12-19/h4-5,7-8,16H,3,6,9-13,17H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 62392810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).