N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine

C15H21Br2N — CID 65002738

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1(CBr)CCCC1
InChIInChI=1S/C15H21Br2N/c1-18(10-13-5-4-6-14(17)9-13)12-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-12H2,1H3
InChIKeyWBDQMVUASOCMLQ-UHFFFAOYSA-N
MW375.15 g/mol
LogP4.84
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine (PubChem CID 65002738) has the molecular formula C15H21Br2N and a molecular weight of 375.15 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
PubChem CID65002738
Molecular FormulaC15H21Br2N
Molecular Weight375.15 g/mol
Exact Mass373.00
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1(CBr)CCCC1
InChIInChI=1S/C15H21Br2N/c1-18(10-13-5-4-6-14(17)9-13)12-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-12H2,1H3
InChIKeyWBDQMVUASOCMLQ-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247625
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[1-(aminomethyl)cyclohexyl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 104677898
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 65009087
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine (CID 65002738) is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine is CN(Cc1cccc(Br)c1)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine?
The InChIKey is WBDQMVUASOCMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N/c1-18(10-13-5-4-6-14(17)9-13)12-15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine has a molecular weight of 375.15 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 65002738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).