N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C15H18ClN3 — CID 106857672

IUPACN-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H18ClN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)9-13(12)16/h4-5,7-10,15,19H,3,6H2,1-2H3
InChIKeySIFFYCZUZHZDCU-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.53
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 106857672) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID106857672
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H18ClN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)9-13(12)16/h4-5,7-10,15,19H,3,6H2,1-2H3
InChIKeySIFFYCZUZHZDCU-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-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857639
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 106857672) is N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is SIFFYCZUZHZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-6-19-15(14-10-17-7-8-18-14)12-5-4-11(2)9-13(12)16/h4-5,7-10,15,19H,3,6H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(2-chloro-4-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-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 106857672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).