2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine

C16H26N2 — CID 117368932

IUPAC2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(C2CCCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-13(12-17)15-5-3-6-16(11-15)14-7-4-9-18(2)10-8-14/h3,5-6,11,13-14H,4,7-10,12,17H2,1-2H3
InChIKeyQTGBIITYMSRZDI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine

2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine (PubChem CID 117368932) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
PubChem CID117368932
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(C2CCCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-13(12-17)15-5-3-6-16(11-15)14-7-4-9-18(2)10-8-14/h3,5-6,11,13-14H,4,7-10,12,17H2,1-2H3
InChIKeyQTGBIITYMSRZDI-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
3-cyclopropyl-3-[3-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117485723
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
CID 117399945
2-[3-(1,1-dioxothiolan-3-yl)phenyl]propan-1-amine
CID 84804497
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine (CID 117368932) is 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine is CC(CN)c1cccc(C2CCCN(C)CC2)c1.
What is the InChIKey of 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine?
The InChIKey is QTGBIITYMSRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(12-17)15-5-3-6-16(11-15)14-7-4-9-18(2)10-8-14/h3,5-6,11,13-14H,4,7-10,12,17H2,1-2H3.
What are the key properties of 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine?
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine has a molecular weight of 246.40 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 2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117368932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).