4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine

C15H18ClN3 — CID 83164376

IUPAC4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18ClN3/c1-11(18-15-10-17-9-8-14(15)16)12-4-6-13(7-5-12)19(2)3/h4-11,18H,1-3H3
InChIKeyAWFRBGVOFSYRTN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine

4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine (PubChem CID 83164376) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
PubChem CID83164376
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18ClN3/c1-11(18-15-10-17-9-8-14(15)16)12-4-6-13(7-5-12)19(2)3/h4-11,18H,1-3H3
InChIKeyAWFRBGVOFSYRTN-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
CID 83166730
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
CID 79841475
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine (CID 83164376) is 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine is CC(Nc1cnccc1Cl)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine?
The InChIKey is AWFRBGVOFSYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(18-15-10-17-9-8-14(15)16)12-4-6-13(7-5-12)19(2)3/h4-11,18H,1-3H3.
What are the key properties of 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine?
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine is sourced from PubChem (CID 83164376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).