N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

C15H16ClFN2 — CID 103444609

IUPACN-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ncccc1Cl
InChIInChI=1S/C15H16ClFN2/c1-3-18-14(15-12(16)5-4-8-19-15)11-9-10(2)6-7-13(11)17/h4-9,14,18H,3H2,1-2H3
InChIKeyUHFTUOOIGZZCMH-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.88
Rot. Bonds4

About N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 103444609) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID103444609
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ncccc1Cl
InChIInChI=1S/C15H16ClFN2/c1-3-18-14(15-12(16)5-4-8-19-15)11-9-10(2)6-7-13(11)17/h4-9,14,18H,3H2,1-2H3
InChIKeyUHFTUOOIGZZCMH-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
3-[ethylamino-(2-fluoro-5-methylphenyl)methyl]pyridin-2-amine
CID 107931759
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113398514
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 103444609) is N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is UHFTUOOIGZZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-3-18-14(15-12(16)5-4-8-19-15)11-9-10(2)6-7-13(11)17/h4-9,14,18H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103444609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).