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

C17H28N2 — CID 117405841

IUPAC3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccccc1C1CCCN(C)CC1
InChIInChI=1S/C17H28N2/c1-14(9-11-18)16-7-3-4-8-17(16)15-6-5-12-19(2)13-10-15/h3-4,7-8,14-15H,5-6,9-13,18H2,1-2H3
InChIKeyLPCRJJJFOJKACE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.34
Rot. Bonds4

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

3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine (PubChem CID 117405841) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
PubChem CID117405841
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccccc1C1CCCN(C)CC1
InChIInChI=1S/C17H28N2/c1-14(9-11-18)16-7-3-4-8-17(16)15-6-5-12-19(2)13-10-15/h3-4,7-8,14-15H,5-6,9-13,18H2,1-2H3
InChIKeyLPCRJJJFOJKACE-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-methylazepan-4-yl)phenyl]butanal
CID 117402999
3-(2-piperidin-4-ylphenyl)butan-1-amine
CID 117336959
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
3-[2-(thietan-3-yl)phenyl]butan-1-amine
CID 117317148
ethyl 2-hydroxy-2-[2-(1-methylazepan-4-yl)phenyl]acetate
CID 117470740
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 114603817
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000
3-amino-1-(2-cyclopropylphenyl)propan-1-ol
CID 79982961
1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
CID 117458050
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine?
The IUPAC name of 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine (CID 117405841) is 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine is CC(CCN)c1ccccc1C1CCCN(C)CC1.
What is the InChIKey of 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine?
The InChIKey is LPCRJJJFOJKACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(9-11-18)16-7-3-4-8-17(16)15-6-5-12-19(2)13-10-15/h3-4,7-8,14-15H,5-6,9-13,18H2,1-2H3.
What are the key properties of 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine?
3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 117405841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).