[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

C18H21BrN2 — CID 120769822

IUPAC[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H21BrN2/c19-17-8-4-5-14(9-17)11-21-12-16(10-20)18(13-21)15-6-2-1-3-7-15/h1-9,16,18H,10-13,20H2/t16-,18+/m1/s1
InChIKeyQZJSRZNXJUWCAJ-AEFFLSMTSA-N
MW345.28 g/mol
LogP3.62
Rot. Bonds4

About [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120769822) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120769822
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H21BrN2/c19-17-8-4-5-14(9-17)11-21-12-16(10-20)18(13-21)15-6-2-1-3-7-15/h1-9,16,18H,10-13,20H2/t16-,18+/m1/s1
InChIKeyQZJSRZNXJUWCAJ-AEFFLSMTSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
CID 10108566
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
[(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759467
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
[(3R,4R)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769264
[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 115009427

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120769822) is [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is QZJSRZNXJUWCAJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-17-8-4-5-14(9-17)11-21-12-16(10-20)18(13-21)15-6-2-1-3-7-15/h1-9,16,18H,10-13,20H2/t16-,18+/m1/s1.
What are the key properties of [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 345.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120769822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).