N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

C15H21BrN2 — CID 115685137

IUPACN-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2cccc(Br)c2)CN1C1CC1
InChIInChI=1S/C15H21BrN2/c1-11-7-14(10-18(11)15-5-6-15)17-9-12-3-2-4-13(16)8-12/h2-4,8,11,14-15,17H,5-7,9-10H2,1H3
InChIKeyMHXZRMMLDCLNMG-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.16
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115685137) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115685137
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCc2cccc(Br)c2)CN1C1CC1
InChIInChI=1S/C15H21BrN2/c1-11-7-14(10-18(11)15-5-6-15)17-9-12-3-2-4-13(16)8-12/h2-4,8,11,14-15,17H,5-7,9-10H2,1H3
InChIKeyMHXZRMMLDCLNMG-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115904126
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
CID 97330985

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115685137) is N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is CC1CC(NCc2cccc(Br)c2)CN1C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is MHXZRMMLDCLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-7-14(10-18(11)15-5-6-15)17-9-12-3-2-4-13(16)8-12/h2-4,8,11,14-15,17H,5-7,9-10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115685137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).