[1-(1-phenylethyl)azepan-2-yl]methanamine

C15H24N2 — CID 116640530

IUPAC[1-(1-phenylethyl)azepan-2-yl]methanamine
SMILESCC(c1ccccc1)N1CCCCCC1CN
InChIInChI=1S/C15H24N2/c1-13(14-8-4-2-5-9-14)17-11-7-3-6-10-15(17)12-16/h2,4-5,8-9,13,15H,3,6-7,10-12,16H2,1H3
InChIKeyWVMXOAAVOCCRTQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds3

About [1-(1-phenylethyl)azepan-2-yl]methanamine

[1-(1-phenylethyl)azepan-2-yl]methanamine (PubChem CID 116640530) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [1-(1-phenylethyl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-phenylethyl)azepan-2-yl]methanamine
PubChem CID116640530
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[1-(1-phenylethyl)azepan-2-yl]methanamine
SMILESCC(c1ccccc1)N1CCCCCC1CN
InChIInChI=1S/C15H24N2/c1-13(14-8-4-2-5-9-14)17-11-7-3-6-10-15(17)12-16/h2,4-5,8-9,13,15H,3,6-7,10-12,16H2,1H3
InChIKeyWVMXOAAVOCCRTQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine
CID 115312692
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylethyl)azepan-2-yl]methanamine?
The IUPAC name of [1-(1-phenylethyl)azepan-2-yl]methanamine (CID 116640530) is [1-(1-phenylethyl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(1-phenylethyl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(1-phenylethyl)azepan-2-yl]methanamine is CC(c1ccccc1)N1CCCCCC1CN.
What is the InChIKey of [1-(1-phenylethyl)azepan-2-yl]methanamine?
The InChIKey is WVMXOAAVOCCRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-8-4-2-5-9-14)17-11-7-3-6-10-15(17)12-16/h2,4-5,8-9,13,15H,3,6-7,10-12,16H2,1H3.
What are the key properties of [1-(1-phenylethyl)azepan-2-yl]methanamine?
[1-(1-phenylethyl)azepan-2-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylethyl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).