N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C19H23BrN2 — CID 75854274

IUPACN-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESBrc1cccc(CNCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H23BrN2/c20-18-10-6-7-16(13-18)14-21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2
InChIKeyGTCBGYOZFVYUAL-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.38
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 75854274) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID75854274
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC NameN-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESBrc1cccc(CNCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H23BrN2/c20-18-10-6-7-16(13-18)14-21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2
InChIKeyGTCBGYOZFVYUAL-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
CID 51923127

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 75854274) is N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is Brc1cccc(CNCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is GTCBGYOZFVYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c20-18-10-6-7-16(13-18)14-21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,14-15H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 359.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 75854274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).