(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine

C15H23ClFN — CID 146212837

IUPAC(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
SMILESCN[C@@H](C)CCCc1cc(Cl)c(F)c(C(C)C)c1
InChIInChI=1S/C15H23ClFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-5-6-11(3)18-4/h8-11,18H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyYSCRKNZBYAZIRZ-NSHDSACASA-N
MW271.81 g/mol
LogP4.53
Rot. Bonds6

About (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine

(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine (PubChem CID 146212837) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
PubChem CID146212837
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
SMILESCN[C@@H](C)CCCc1cc(Cl)c(F)c(C(C)C)c1
InChIInChI=1S/C15H23ClFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-5-6-11(3)18-4/h8-11,18H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyYSCRKNZBYAZIRZ-NSHDSACASA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine?
The IUPAC name of (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine (CID 146212837) is (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine.
What is the SMILES notation for (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine?
The canonical SMILES for (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine is CN[C@@H](C)CCCc1cc(Cl)c(F)c(C(C)C)c1.
What is the InChIKey of (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine?
The InChIKey is YSCRKNZBYAZIRZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23ClFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-5-6-11(3)18-4/h8-11,18H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine?
(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine has a molecular weight of 271.81 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 146212837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).