N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine

C14H16ClN3 — CID 62503194

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
SMILESNCCc1ccc(CNc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H16ClN3/c15-13-5-6-14(18-10-13)17-9-12-3-1-11(2-4-12)7-8-16/h1-6,10H,7-9,16H2,(H,17,18)
InChIKeyBAXYROGOBSAWQN-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.85
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine (PubChem CID 62503194) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
PubChem CID62503194
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
SMILESNCCc1ccc(CNc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H16ClN3/c15-13-5-6-14(18-10-13)17-9-12-3-1-11(2-4-12)7-8-16/h1-6,10H,7-9,16H2,(H,17,18)
InChIKeyBAXYROGOBSAWQN-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
N-[[4-(2-aminoethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648562
5-(2-aminocyclopropyl)-N-[(4-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
CID 66980443
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine (CID 62503194) is N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine is NCCc1ccc(CNc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine?
The InChIKey is BAXYROGOBSAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-5-6-14(18-10-13)17-9-12-3-1-11(2-4-12)7-8-16/h1-6,10H,7-9,16H2,(H,17,18).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 62503194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).