N-[(3-bromophenyl)methyl]azepan-4-amine

C13H19BrN2 — CID 103981810

IUPACN-[(3-bromophenyl)methyl]azepan-4-amine
SMILESBrc1cccc(CNC2CCCNCC2)c1
InChIInChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)10-16-13-5-2-7-15-8-6-13/h1,3-4,9,13,15-16H,2,5-8,10H2
InChIKeyAGMCQHSLBSHHLA-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.68
Rot. Bonds3

About N-[(3-bromophenyl)methyl]azepan-4-amine

N-[(3-bromophenyl)methyl]azepan-4-amine (PubChem CID 103981810) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]azepan-4-amine
PubChem CID103981810
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(3-bromophenyl)methyl]azepan-4-amine
SMILESBrc1cccc(CNC2CCCNCC2)c1
InChIInChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)10-16-13-5-2-7-15-8-6-13/h1,3-4,9,13,15-16H,2,5-8,10H2
InChIKeyAGMCQHSLBSHHLA-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(azepan-4-ylamino)methyl]benzonitrile
CID 103981588
N-[(3-bromophenyl)methyl]piperidin-4-amine;tert-butyl formate
CID 174709492
N-[(3-bromophenyl)methyl]oxepan-4-amine
CID 65081407
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
N-[(3-piperidin-3-ylphenyl)methyl]cyclopropanamine
CID 116988705
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]azepan-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]azepan-4-amine (CID 103981810) is N-[(3-bromophenyl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]azepan-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]azepan-4-amine is Brc1cccc(CNC2CCCNCC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]azepan-4-amine?
The InChIKey is AGMCQHSLBSHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)10-16-13-5-2-7-15-8-6-13/h1,3-4,9,13,15-16H,2,5-8,10H2.
What are the key properties of N-[(3-bromophenyl)methyl]azepan-4-amine?
N-[(3-bromophenyl)methyl]azepan-4-amine has a molecular weight of 283.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]azepan-4-amine is sourced from PubChem (CID 103981810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).