N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C15H18ClN3 — CID 107102363

IUPACN-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cccc(Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-3-7-19-15(14-10-17-8-9-18-14)12-5-4-6-13(16)11(12)2/h4-6,8-10,15,19H,3,7H2,1-2H3
InChIKeyBHEYZQMXXQABJP-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.53
Rot. Bonds5

About N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 107102363) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID107102363
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cccc(Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-3-7-19-15(14-10-17-8-9-18-14)12-5-4-6-13(16)11(12)2/h4-6,8-10,15,19H,3,7H2,1-2H3
InChIKeyBHEYZQMXXQABJP-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 107102363) is N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1cccc(Cl)c1C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is BHEYZQMXXQABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-7-19-15(14-10-17-8-9-18-14)12-5-4-6-13(16)11(12)2/h4-6,8-10,15,19H,3,7H2,1-2H3.
What are the key properties of N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 107102363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).