N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine

C15H24BrN — CID 113457747

IUPACN-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
SMILESCCC(NC(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3
InChIKeyJQDXXOZOWKXTRM-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.92
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine

N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine (PubChem CID 113457747) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
PubChem CID113457747
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
SMILESCCC(NC(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3
InChIKeyJQDXXOZOWKXTRM-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
2-N-[1-(4-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476843
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine (CID 113457747) is N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine is CCC(NC(C)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine?
The InChIKey is JQDXXOZOWKXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-6-14(17-11(2)15(3,4)5)12-7-9-13(16)10-8-12/h7-11,14,17H,6H2,1-5H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine?
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 113457747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).