N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine

C16H26N2 — CID 103981634

IUPACN-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
SMILESCc1ccccc1CC(C)NC1CCCNCC1
InChIInChI=1S/C16H26N2/c1-13-6-3-4-7-15(13)12-14(2)18-16-8-5-10-17-11-9-16/h3-4,6-7,14,16-18H,5,8-12H2,1-2H3
InChIKeyJFFMOEULUXJJJN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine

N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine (PubChem CID 103981634) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
PubChem CID103981634
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
SMILESCc1ccccc1CC(C)NC1CCCNCC1
InChIInChI=1S/C16H26N2/c1-13-6-3-4-7-15(13)12-14(2)18-16-8-5-10-17-11-9-16/h3-4,6-7,14,16-18H,5,8-12H2,1-2H3
InChIKeyJFFMOEULUXJJJN-UHFFFAOYSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 55191586
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
CID 91312100

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine (CID 103981634) is N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine is Cc1ccccc1CC(C)NC1CCCNCC1.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine?
The InChIKey is JFFMOEULUXJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-3-4-7-15(13)12-14(2)18-16-8-5-10-17-11-9-16/h3-4,6-7,14,16-18H,5,8-12H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine?
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine is sourced from PubChem (CID 103981634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).