N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine

C16H23F2N — CID 64999494

IUPACN-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CC(C)(C)C1
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-16(8-15(3,4)9-16)13-6-5-12(17)7-14(13)18/h5-7,11,19H,8-10H2,1-4H3
InChIKeyMCMSYOMIEZIEMW-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.02
Rot. Bonds4

About N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine

N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine (PubChem CID 64999494) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
PubChem CID64999494
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CC(C)(C)C1
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-16(8-15(3,4)9-16)13-6-5-12(17)7-14(13)18/h5-7,11,19H,8-10H2,1-4H3
InChIKeyMCMSYOMIEZIEMW-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]methyl]propan-2-amine
CID 65001631
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008669
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
CID 65353248
N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine (CID 64999494) is N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(F)cc2F)CC(C)(C)C1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine?
The InChIKey is MCMSYOMIEZIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)19-10-16(8-15(3,4)9-16)13-6-5-12(17)7-14(13)18/h5-7,11,19H,8-10H2,1-4H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine?
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 64999494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).