1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine

C18H21ClFN — CID 63420157

IUPAC1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-12-21-18(11-8-14-6-4-3-5-7-14)16-10-9-15(20)13-17(16)19/h3-7,9-10,13,18,21H,2,8,11-12H2,1H3
InChIKeyBNIGXMIWHKTHBN-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.15
Rot. Bonds7

About 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine

1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 63420157) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
PubChem CID63420157
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-12-21-18(11-8-14-6-4-3-5-7-14)16-10-9-15(20)13-17(16)19/h3-7,9-10,13,18,21H,2,8,11-12H2,1H3
InChIKeyBNIGXMIWHKTHBN-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
[1-(2-chloro-4-fluorophenyl)-3-phenylpropyl]hydrazine
CID 105215295
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
1-(2-chloro-4-fluorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 63192372
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine (CID 63420157) is 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is BNIGXMIWHKTHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-12-21-18(11-8-14-6-4-3-5-7-14)16-10-9-15(20)13-17(16)19/h3-7,9-10,13,18,21H,2,8,11-12H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine?
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.15, 7 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)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 63420157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).