4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine

C15H23ClFN — CID 81051396

IUPAC4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-5-18-10-15(3,4)7-6-12-8-11(2)14(17)9-13(12)16/h8-9,18H,5-7,10H2,1-4H3
InChIKeyUYLBFMSNHVEHPI-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.36
Rot. Bonds6

About 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine

4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 81051396) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID81051396
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H23ClFN/c1-5-18-10-15(3,4)7-6-12-8-11(2)14(17)9-13(12)16/h8-9,18H,5-7,10H2,1-4H3
InChIKeyUYLBFMSNHVEHPI-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306196
4-(2-chloro-4,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 115485086
5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
CID 79733000
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306023
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308385
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 81051396) is 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1cc(C)c(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is UYLBFMSNHVEHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-5-18-10-15(3,4)7-6-12-8-11(2)14(17)9-13(12)16/h8-9,18H,5-7,10H2,1-4H3.
What are the key properties of 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 81051396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).