N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine

C11H16BrN — CID 60777785

IUPACN-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyCHUVVHJIKQOWLZ-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine

N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 60777785) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
PubChem CID60777785
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyCHUVVHJIKQOWLZ-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
5-[(4-bromophenyl)methyl-methylamino]-3-methylpentan-2-one
CID 166534850

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine (CID 60777785) is N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is CHUVVHJIKQOWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine?
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 60777785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).