[4-(1-methylazepan-4-yl)phenyl]methanamine

C14H22N2 — CID 83836852

IUPAC[4-(1-methylazepan-4-yl)phenyl]methanamine
SMILESCN1CCCC(c2ccc(CN)cc2)CC1
InChIInChI=1S/C14H22N2/c1-16-9-2-3-13(8-10-16)14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyZDRYLYJEBBLVGM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds2

About [4-(1-methylazepan-4-yl)phenyl]methanamine

[4-(1-methylazepan-4-yl)phenyl]methanamine (PubChem CID 83836852) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [4-(1-methylazepan-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-methylazepan-4-yl)phenyl]methanamine
PubChem CID83836852
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[4-(1-methylazepan-4-yl)phenyl]methanamine
SMILESCN1CCCC(c2ccc(CN)cc2)CC1
InChIInChI=1S/C14H22N2/c1-16-9-2-3-13(8-10-16)14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyZDRYLYJEBBLVGM-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(1-methylazepan-4-yl)phenyl]propan-2-amine
CID 117405843
(4-cyclohexylphenyl)methanamine
CID 22246867
2-amino-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117442921
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
2,2-dimethyl-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117467737
1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117363380
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylazepan-4-yl)phenyl]methanamine?
The IUPAC name of [4-(1-methylazepan-4-yl)phenyl]methanamine (CID 83836852) is [4-(1-methylazepan-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-methylazepan-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-methylazepan-4-yl)phenyl]methanamine is CN1CCCC(c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-(1-methylazepan-4-yl)phenyl]methanamine?
The InChIKey is ZDRYLYJEBBLVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-9-2-3-13(8-10-16)14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3.
What are the key properties of [4-(1-methylazepan-4-yl)phenyl]methanamine?
[4-(1-methylazepan-4-yl)phenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylazepan-4-yl)phenyl]methanamine is sourced from PubChem (CID 83836852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).