N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine

C17H20BrN — CID 43225620

IUPACN-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-13(2)17(15-8-4-3-5-9-15)19-12-14-7-6-10-16(18)11-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyFNIOPOQBYMOQJC-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.94
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 43225620) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID43225620
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-13(2)17(15-8-4-3-5-9-15)19-12-14-7-6-10-16(18)11-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyFNIOPOQBYMOQJC-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
N-[(3-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353947
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
3-[[1-(3-bromophenyl)ethylamino]methyl]benzoic acid
CID 103241329
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 43225620) is N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is FNIOPOQBYMOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-13(2)17(15-8-4-3-5-9-15)19-12-14-7-6-10-16(18)11-14/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).