N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

C16H18BrN3 — CID 43676391

IUPACN-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESBrc1cccc(CNc2cccnc2N2CCCC2)c1
InChIInChI=1S/C16H18BrN3/c17-14-6-3-5-13(11-14)12-19-15-7-4-8-18-16(15)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10,12H2
InChIKeyJWZPFFVSOZOELQ-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.06
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43676391) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43676391
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC NameN-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESBrc1cccc(CNc2cccnc2N2CCCC2)c1
InChIInChI=1S/C16H18BrN3/c17-14-6-3-5-13(11-14)12-19-15-7-4-8-18-16(15)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10,12H2
InChIKeyJWZPFFVSOZOELQ-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
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N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
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N-[(3-bromophenyl)methyl]-3-chloro-4-pyrrolidin-1-ylaniline
CID 19644384
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
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N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
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CID 62761986

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 43676391) is N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is Brc1cccc(CNc2cccnc2N2CCCC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is JWZPFFVSOZOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-14-6-3-5-13(11-14)12-19-15-7-4-8-18-16(15)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10,12H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 332.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43676391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).