1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine

C13H19BrN2 — CID 116906440

IUPAC1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(C)C(c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C13H19BrN2/c1-16(2)13(11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,6-7,9H2,1-2H3
InChIKeyFUOSNVWJWLYDDQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine

1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 116906440) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
PubChem CID116906440
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(C)C(c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C13H19BrN2/c1-16(2)13(11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,6-7,9H2,1-2H3
InChIKeyFUOSNVWJWLYDDQ-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one
CID 116911253
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116906426
N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
CID 116906430
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[1-(3-bromophenyl)ethyl]-N-methylazepan-4-amine
CID 107172110
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine (CID 116906440) is 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine is CN(C)C(c1cccc(Br)c1)C1CCNC1.
What is the InChIKey of 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is FUOSNVWJWLYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(2)13(11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116906440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).