N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline

C17H19BrN2 — CID 60943060

IUPACN-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESBrc1cccc(CNc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C17H19BrN2/c18-15-6-3-5-14(11-15)13-19-16-7-4-8-17(12-16)20-9-1-2-10-20/h3-8,11-12,19H,1-2,9-10,13H2
InChIKeyTZRKUVWZGQHUCF-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.66
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline

N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline (PubChem CID 60943060) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
PubChem CID60943060
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC NameN-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESBrc1cccc(CNc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C17H19BrN2/c18-15-6-3-5-14(11-15)13-19-16-7-4-8-17(12-16)20-9-1-2-10-20/h3-8,11-12,19H,1-2,9-10,13H2
InChIKeyTZRKUVWZGQHUCF-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(3-pyrrolidin-1-ylanilino)methyl]phenol
CID 63047265
N-[(4-bromo-3-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 66472010
N-[(3-bromophenyl)methyl]-3-chloro-4-pyrrolidin-1-ylaniline
CID 19644384
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
1-(3-bromophenyl)pyrrolidine
CID 7016459
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
1-[4-[4-[(3-bromophenyl)methylamino]phenyl]piperazin-1-yl]ethanone
CID 4736689

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline (CID 60943060) is N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline is Brc1cccc(CNc2cccc(N3CCCC3)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is TZRKUVWZGQHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-15-6-3-5-14(11-15)13-19-16-7-4-8-17(12-16)20-9-1-2-10-20/h3-8,11-12,19H,1-2,9-10,13H2.
What are the key properties of N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline?
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 331.26 g/mol, XLogP of 4.66, 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]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60943060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).