N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine

C14H14ClFN2 — CID 65028967

IUPACN-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NC(CCl)Cc1ccccc1
InChIInChI=1S/C14H14ClFN2/c15-10-12(9-11-5-2-1-3-6-11)18-14-13(16)7-4-8-17-14/h1-8,12H,9-10H2,(H,17,18)
InChIKeyAGIMVRAKMMZGRM-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.48
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine

N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine (PubChem CID 65028967) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
PubChem CID65028967
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NC(CCl)Cc1ccccc1
InChIInChI=1S/C14H14ClFN2/c15-10-12(9-11-5-2-1-3-6-11)18-14-13(16)7-4-8-17-14/h1-8,12H,9-10H2,(H,17,18)
InChIKeyAGIMVRAKMMZGRM-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
CID 122064301
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386410
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330687
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
CID 112676639
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine (CID 65028967) is N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine is Fc1cccnc1NC(CCl)Cc1ccccc1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The InChIKey is AGIMVRAKMMZGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-10-12(9-11-5-2-1-3-6-11)18-14-13(16)7-4-8-17-14/h1-8,12H,9-10H2,(H,17,18).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine has a molecular weight of 264.73 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 65028967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).