N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

C17H25ClFNO — CID 107885030

IUPACN-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCCO1
InChIInChI=1S/C17H25ClFNO/c1-3-9-20-16(17(2)8-4-5-10-21-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyHKBMAJUUHFOHLW-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (PubChem CID 107885030) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
PubChem CID107885030
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCCO1
InChIInChI=1S/C17H25ClFNO/c1-3-9-20-16(17(2)8-4-5-10-21-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyHKBMAJUUHFOHLW-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-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-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
N-[2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-2-yl)ethyl]propan-1-amine
CID 106867367
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (CID 107885030) is N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCCO1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The InChIKey is HKBMAJUUHFOHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-9-20-16(17(2)8-4-5-10-21-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine has a molecular weight of 313.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107885030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).