2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine

C16H18ClN3 — CID 43782444

IUPAC2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESClc1ncccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H18ClN3/c17-16-15(4-3-9-18-16)19-12-13-5-7-14(8-6-13)20-10-1-2-11-20/h3-9,19H,1-2,10-12H2
InChIKeyGHMUIYPMSNZEAJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine

2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine (PubChem CID 43782444) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
PubChem CID43782444
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESClc1ncccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H18ClN3/c17-16-15(4-3-9-18-16)19-12-13-5-7-14(8-6-13)20-10-1-2-11-20/h3-9,19H,1-2,10-12H2
InChIKeyGHMUIYPMSNZEAJ-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
2-chloro-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107630649
2-bromo-4-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 81251895
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426
2-methyl-3-methylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]aniline
CID 167753969
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine (CID 43782444) is 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine is Clc1ncccc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The InChIKey is GHMUIYPMSNZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-16-15(4-3-9-18-16)19-12-13-5-7-14(8-6-13)20-10-1-2-11-20/h3-9,19H,1-2,10-12H2.
What are the key properties of 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine has a molecular weight of 287.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).