N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

C18H20BrClN2 — CID 135174667

IUPACN-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
SMILESClc1ccc(-c2cccc(CNCC3CCNC3)c2)c(Br)c1
InChIInChI=1S/C18H20BrClN2/c19-18-9-16(20)4-5-17(18)15-3-1-2-13(8-15)10-22-12-14-6-7-21-11-14/h1-5,8-9,14,21-22H,6-7,10-12H2
InChIKeyJIVCUZJLUBHQAQ-UHFFFAOYSA-N
MW379.73 g/mol
LogP4.47
Rot. Bonds5

About N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 135174667) has the molecular formula C18H20BrClN2 and a molecular weight of 379.73 g/mol. Its IUPAC name is N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID135174667
Molecular FormulaC18H20BrClN2
Molecular Weight379.73 g/mol
Exact Mass378.05
IUPAC NameN-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
SMILESClc1ccc(-c2cccc(CNCC3CCNC3)c2)c(Br)c1
InChIInChI=1S/C18H20BrClN2/c19-18-9-16(20)4-5-17(18)15-3-1-2-13(8-15)10-22-12-14-6-7-21-11-14/h1-5,8-9,14,21-22H,6-7,10-12H2
InChIKeyJIVCUZJLUBHQAQ-UHFFFAOYSA-N
XLogP4.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]methanamine
CID 135174816
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 155958402
3-[3-[3-(2-bromo-4-chlorophenyl)phenyl]propyl]azetidine
CID 157180575
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[[3-[2-(2-bromo-4-methylphenyl)ethynyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174165
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
3-[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 135174232
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine
CID 135164635
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine (CID 135174667) is N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine is Clc1ccc(-c2cccc(CNCC3CCNC3)c2)c(Br)c1.
What is the InChIKey of N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is JIVCUZJLUBHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2/c19-18-9-16(20)4-5-17(18)15-3-1-2-13(8-15)10-22-12-14-6-7-21-11-14/h1-5,8-9,14,21-22H,6-7,10-12H2.
What are the key properties of N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 379.73 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 135174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).