3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine

C12H17BrN2 — CID 79462657

IUPAC3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-4-2-1-3-9(12)8-15-11-6-5-10(14)7-11/h1-4,10-11,15H,5-8,14H2
InChIKeyDLKHUQHXJJBKJY-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.42
Rot. Bonds3

About 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine

3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine (PubChem CID 79462657) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
PubChem CID79462657
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-4-2-1-3-9(12)8-15-11-6-5-10(14)7-11/h1-4,10-11,15H,5-8,14H2
InChIKeyDLKHUQHXJJBKJY-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine (CID 79462657) is 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine is NC1CCC(NCc2ccccc2Br)C1.
What is the InChIKey of 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine?
The InChIKey is DLKHUQHXJJBKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-12-4-2-1-3-9(12)8-15-11-6-5-10(14)7-11/h1-4,10-11,15H,5-8,14H2.
What are the key properties of 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine?
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine has a molecular weight of 269.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).