N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine

C14H16ClN3 — CID 79841475

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccc(CN)cc1
InChIInChI=1S/C14H16ClN3/c1-10(12-4-2-11(8-16)3-5-12)18-14-6-7-17-9-13(14)15/h2-7,9-10H,8,16H2,1H3,(H,17,18)
InChIKeyWVAUDFUUBXTHCT-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.37
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine

N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine (PubChem CID 79841475) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
PubChem CID79841475
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccc(CN)cc1
InChIInChI=1S/C14H16ClN3/c1-10(12-4-2-11(8-16)3-5-12)18-14-6-7-17-9-13(14)15/h2-7,9-10H,8,16H2,1H3,(H,17,18)
InChIKeyWVAUDFUUBXTHCT-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
CID 83166730
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
N-[1-(4-ethylphenyl)ethyl]-4-methylpyridin-3-amine
CID 63329919
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine
CID 63208616
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine (CID 79841475) is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine is CC(Nc1ccncc1Cl)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine?
The InChIKey is WVAUDFUUBXTHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(12-4-2-11(8-16)3-5-12)18-14-6-7-17-9-13(14)15/h2-7,9-10H,8,16H2,1H3,(H,17,18).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine?
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine is sourced from PubChem (CID 79841475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).