1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine

C12H17ClFNO — CID 114993091

IUPAC1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCC(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-8(2)16-6-5-12(15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyLWOXHQITHJXZMR-UHFFFAOYSA-N
MW245.73 g/mol
LogP3.29
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine

1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 114993091) has the molecular formula C12H17ClFNO and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
PubChem CID114993091
Molecular FormulaC12H17ClFNO
Molecular Weight245.73 g/mol
Exact Mass245.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCC(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-8(2)16-6-5-12(15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyLWOXHQITHJXZMR-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-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

(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
1-(3-chloro-4-fluorophenyl)pent-3-yn-1-amine
CID 63093128
methyl (3R)-3-amino-3-(3-chloro-4-fluorophenyl)propanoate
CID 79021226

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine (CID 114993091) is 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCC(N)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is LWOXHQITHJXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(2)16-6-5-12(15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12H,5-6,15H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine?
1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 245.73 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 114993091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).