1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine

C15H16ClFN2 — CID 114833502

IUPAC1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccccc1F)Cc1ccncc1Cl
InChIInChI=1S/C15H16ClFN2/c1-15(18,8-11-6-7-19-10-13(11)16)9-12-4-2-3-5-14(12)17/h2-7,10H,8-9,18H2,1H3
InChIKeyCKNQPAJBUUAISB-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine

1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114833502) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114833502
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccccc1F)Cc1ccncc1Cl
InChIInChI=1S/C15H16ClFN2/c1-15(18,8-11-6-7-19-10-13(11)16)9-12-4-2-3-5-14(12)17/h2-7,10H,8-9,18H2,1H3
InChIKeyCKNQPAJBUUAISB-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 114833540
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine
CID 79014062
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074
1-(2-fluorophenyl)-2-methyloctan-2-amine
CID 114833613
1-(2-fluorophenyl)-2-methyldecan-2-amine
CID 114833515
3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148617

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine (CID 114833502) is 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1ccccc1F)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is CKNQPAJBUUAISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-15(18,8-11-6-7-19-10-13(11)16)9-12-4-2-3-5-14(12)17/h2-7,10H,8-9,18H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine?
1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 278.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114833502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).