1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine

C14H21ClFN — CID 63419715

IUPAC1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(F)cc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClFN/c1-5-8-17-13(14(2,3)4)11-7-6-10(16)9-12(11)15/h6-7,9,13,17H,5,8H2,1-4H3
InChIKeyNKUGJGQYDOKTIB-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.57
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 63419715) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID63419715
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(F)cc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClFN/c1-5-8-17-13(14(2,3)4)11-7-6-10(16)9-12(11)15/h6-7,9,13,17H,5,8H2,1-4H3
InChIKeyNKUGJGQYDOKTIB-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63501913
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43497508
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 63419715) is 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1ccc(F)cc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is NKUGJGQYDOKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-5-8-17-13(14(2,3)4)11-7-6-10(16)9-12(11)15/h6-7,9,13,17H,5,8H2,1-4H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 63419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).