N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine

C15H25N3 — CID 103981509

IUPACN-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
SMILESCN(C)Cc1ccccc1NC1CCCNCC1
InChIInChI=1S/C15H25N3/c1-18(2)12-13-6-3-4-8-15(13)17-14-7-5-10-16-11-9-14/h3-4,6,8,14,16-17H,5,7,9-12H2,1-2H3
InChIKeyAWBDYHMECBUAOL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.30
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine

N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine (PubChem CID 103981509) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
PubChem CID103981509
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
SMILESCN(C)Cc1ccccc1NC1CCCNCC1
InChIInChI=1S/C15H25N3/c1-18(2)12-13-6-3-4-8-15(13)17-14-7-5-10-16-11-9-14/h3-4,6,8,14,16-17H,5,7,9-12H2,1-2H3
InChIKeyAWBDYHMECBUAOL-UHFFFAOYSA-N
XLogP2.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)azepan-4-amine
CID 103980459
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981459
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine (CID 103981509) is N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine is CN(C)Cc1ccccc1NC1CCCNCC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine?
The InChIKey is AWBDYHMECBUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18(2)12-13-6-3-4-8-15(13)17-14-7-5-10-16-11-9-14/h3-4,6,8,14,16-17H,5,7,9-12H2,1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine?
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine is sourced from PubChem (CID 103981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).