(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine

C10H12ClF2N — CID 131561553

IUPAC(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2N/c1-6-2-3-7(4-8(6)11)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1
InChIKeyHWQOZBLDKUFAMQ-SECBINFHSA-N
MW219.66 g/mol
LogP3.30
Rot. Bonds3

About (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine

(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine (PubChem CID 131561553) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
PubChem CID131561553
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2N/c1-6-2-3-7(4-8(6)11)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1
InChIKeyHWQOZBLDKUFAMQ-SECBINFHSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
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)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
(1R)-1-(3-chloro-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171204415

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine (CID 131561553) is (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine is Cc1ccc([C@H](N)CC(F)F)cc1Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine?
The InChIKey is HWQOZBLDKUFAMQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-6-2-3-7(4-8(6)11)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine?
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 3.30, 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)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 131561553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).