1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine

C12H16BrN — CID 68890451

IUPAC1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyLNBJGQDEDOYILA-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine

1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 68890451) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID68890451
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyLNBJGQDEDOYILA-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
CID 97215973
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
CID 119333592
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
CID 59837374

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine (CID 68890451) is 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is LNBJGQDEDOYILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine?
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 68890451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).