N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine

C18H21ClFN — CID 155119396

IUPACN-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyDUFMFCCBGXAHHV-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.63
Rot. Bonds7

About N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine

N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 155119396) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID155119396
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyDUFMFCCBGXAHHV-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-Chloro-N-pentylbenzenemethanamine
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N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
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p-Chloromethamphetamine
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N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
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Benzyl-(4-chloro-benzyl)-amine
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N-Desmethylsibutramine
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(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine (CID 155119396) is N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is DUFMFCCBGXAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-14(13-16-6-10-18(20)11-7-16)21-12-2-3-15-4-8-17(19)9-5-15/h4-11,14,21H,2-3,12-13H2,1H3.
What are the key properties of N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine?
N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 155119396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).