N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine

C16H23F2N — CID 103163213

IUPACN-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C(CC2CCC2)NC(C)C)c(F)cc1F
InChIInChI=1S/C16H23F2N/c1-10(2)19-16(8-12-5-4-6-12)13-7-11(3)14(17)9-15(13)18/h7,9-10,12,16,19H,4-6,8H2,1-3H3
InChIKeyWOIBKHWRKPDUFO-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.50
Rot. Bonds5

About N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine

N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine (PubChem CID 103163213) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
PubChem CID103163213
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C(CC2CCC2)NC(C)C)c(F)cc1F
InChIInChI=1S/C16H23F2N/c1-10(2)19-16(8-12-5-4-6-12)13-7-11(3)14(17)9-15(13)18/h7,9-10,12,16,19H,4-6,8H2,1-3H3
InChIKeyWOIBKHWRKPDUFO-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 79726318
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
1-(2,4-difluoro-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79724270
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
1-(1-chloro-3-cyclohexylpropyl)-2,4-difluoro-5-methylbenzene
CID 79730355
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 81045921

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine (CID 103163213) is N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine is Cc1cc(C(CC2CCC2)NC(C)C)c(F)cc1F.
What is the InChIKey of N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The InChIKey is WOIBKHWRKPDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10(2)19-16(8-12-5-4-6-12)13-7-11(3)14(17)9-15(13)18/h7,9-10,12,16,19H,4-6,8H2,1-3H3.
What are the key properties of N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 103163213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).