(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine

C10H13ClFN — CID 131569860

IUPAC(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1ccc([C@H](N)CCF)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,6,10H,4-5,13H2,1H3/t10-/m1/s1
InChIKeyMTWMPJQWWWMJMY-SNVBAGLBSA-N
MW201.67 g/mol
LogP3.01
Rot. Bonds3

About (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine

(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine (PubChem CID 131569860) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
PubChem CID131569860
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1ccc([C@H](N)CCF)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,6,10H,4-5,13H2,1H3/t10-/m1/s1
InChIKeyMTWMPJQWWWMJMY-SNVBAGLBSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
(1R)-1-(3-chloro-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171204415
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine (CID 131569860) is (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine is Cc1ccc([C@H](N)CCF)cc1Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine?
The InChIKey is MTWMPJQWWWMJMY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,6,10H,4-5,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine?
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131569860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).