N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine

C14H16ClN3 — CID 113397967

IUPACN-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine
SMILESNCCCc1cccc(Nc2ncccc2Cl)c1
InChIInChI=1S/C14H16ClN3/c15-13-7-3-9-17-14(13)18-12-6-1-4-11(10-12)5-2-8-16/h1,3-4,6-7,9-10H,2,5,8,16H2,(H,17,18)
InChIKeyWRIATOXBIPNGOO-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.37
Rot. Bonds5

About N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine

N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine (PubChem CID 113397967) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine
PubChem CID113397967
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine
SMILESNCCCc1cccc(Nc2ncccc2Cl)c1
InChIInChI=1S/C14H16ClN3/c15-13-7-3-9-17-14(13)18-12-6-1-4-11(10-12)5-2-8-16/h1,3-4,6-7,9-10H,2,5,8,16H2,(H,17,18)
InChIKeyWRIATOXBIPNGOO-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine
CID 106550800
5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine
CID 114047952
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
5-chloro-4-[3-(3-chloropropyl)anilino]-1H-pyrimidin-6-one
CID 136972081
3-quinolin-7-ylpropan-1-amine
CID 55268089
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine?
The IUPAC name of N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine (CID 113397967) is N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine.
What is the SMILES notation for N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine?
The canonical SMILES for N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine is NCCCc1cccc(Nc2ncccc2Cl)c1.
What is the InChIKey of N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine?
The InChIKey is WRIATOXBIPNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-7-3-9-17-14(13)18-12-6-1-4-11(10-12)5-2-8-16/h1,3-4,6-7,9-10H,2,5,8,16H2,(H,17,18).
What are the key properties of N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine?
N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine is sourced from PubChem (CID 113397967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).