N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine

C18H21BrN2 — CID 61402192

IUPACN-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
SMILESBrc1ccccc1CNCc1ccccc1N1CCCC1
InChIInChI=1S/C18H21BrN2/c19-17-9-3-1-7-15(17)13-20-14-16-8-2-4-10-18(16)21-11-5-6-12-21/h1-4,7-10,20H,5-6,11-14H2
InChIKeyXAXHUDMYSGDEAT-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.34
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine

N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 61402192) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
PubChem CID61402192
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC NameN-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
SMILESBrc1ccccc1CNCc1ccccc1N1CCCC1
InChIInChI=1S/C18H21BrN2/c19-17-9-3-1-7-15(17)13-20-14-16-8-2-4-10-18(16)21-11-5-6-12-21/h1-4,7-10,20H,5-6,11-14H2
InChIKeyXAXHUDMYSGDEAT-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60657557
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 103884536
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 106834182
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine (CID 61402192) is N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine is Brc1ccccc1CNCc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is XAXHUDMYSGDEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-17-9-3-1-7-15(17)13-20-14-16-8-2-4-10-18(16)21-11-5-6-12-21/h1-4,7-10,20H,5-6,11-14H2.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 345.28 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 61402192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).