N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine

C14H16FN3 — CID 107128679

IUPACN-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ncccn1
InChIInChI=1S/C14H16FN3/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(2)12(15)9-11/h4-9,13,16H,3H2,1-2H3
InChIKeySHJBQHFRRUZTPV-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.62
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine

N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine (PubChem CID 107128679) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
PubChem CID107128679
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ncccn1
InChIInChI=1S/C14H16FN3/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(2)12(15)9-11/h4-9,13,16H,3H2,1-2H3
InChIKeySHJBQHFRRUZTPV-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine
CID 107129039
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine (CID 107128679) is N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine is CCNC(c1ccc(C)c(F)c1)c1ncccn1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The InChIKey is SHJBQHFRRUZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-16-13(14-17-7-4-8-18-14)11-6-5-10(2)12(15)9-11/h4-9,13,16H,3H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine is sourced from PubChem (CID 107128679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).