N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine

C10H13BrClN — CID 65023948

IUPACN-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1ccccc1Br
InChIInChI=1S/C10H13BrClN/c1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3
InChIKeyDQKZKKHUHSGELA-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine

N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine (PubChem CID 65023948) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
PubChem CID65023948
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1ccccc1Br
InChIInChI=1S/C10H13BrClN/c1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3
InChIKeyDQKZKKHUHSGELA-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
CID 65030272
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
1-[(2-bromophenyl)methyl]-3-(2-methylpropyl)thiourea
CID 115596908

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine (CID 65023948) is N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine is CC(Cl)CNCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine?
The InChIKey is DQKZKKHUHSGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine?
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine has a molecular weight of 262.58 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine is sourced from PubChem (CID 65023948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).