N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine

C20H25ClFN3 — CID 11355359

IUPACN-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2ccc(Cl)cc2F)ncc1CNCC1CCC1
InChIInChI=1S/C20H25ClFN3/c1-13(2)17-9-20(25-19-7-6-16(21)8-18(19)22)24-12-15(17)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25)
InChIKeyGVOKHRZJNCRQEY-UHFFFAOYSA-N
MW361.89 g/mol
LogP5.63
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine

N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine (PubChem CID 11355359) has the molecular formula C20H25ClFN3 and a molecular weight of 361.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine
PubChem CID11355359
Molecular FormulaC20H25ClFN3
Molecular Weight361.89 g/mol
Exact Mass361.17
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2ccc(Cl)cc2F)ncc1CNCC1CCC1
InChIInChI=1S/C20H25ClFN3/c1-13(2)17-9-20(25-19-7-6-16(21)8-18(19)22)24-12-15(17)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25)
InChIKeyGVOKHRZJNCRQEY-UHFFFAOYSA-N
XLogP5.63
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.89
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine
CID 71063416
5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
CID 11240305
tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 11304398
6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731760
6-(4-cyano-2-fluoroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731665
N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-propan-2-ylpyrimidin-2-amine;hydrochloride
CID 11639816
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine (CID 11355359) is N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine is CC(C)c1cc(Nc2ccc(Cl)cc2F)ncc1CNCC1CCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The InChIKey is GVOKHRZJNCRQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3/c1-13(2)17-9-20(25-19-7-6-16(21)8-18(19)22)24-12-15(17)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine?
N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine has a molecular weight of 361.89 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 11355359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).