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

C18H21ClFN — CID 63523316

IUPAC2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClFN/c1-2-21-13-16(10-14-6-8-18(20)9-7-14)11-15-4-3-5-17(19)12-15/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeyDKTAQFRJSLRDLJ-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.49
Rot. Bonds7

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

2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (PubChem CID 63523316) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
PubChem CID63523316
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClFN/c1-2-21-13-16(10-14-6-8-18(20)9-7-14)11-15-4-3-5-17(19)12-15/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeyDKTAQFRJSLRDLJ-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (CID 63523316) is 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1ccc(F)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is DKTAQFRJSLRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-13-16(10-14-6-8-18(20)9-7-14)11-15-4-3-5-17(19)12-15/h3-9,12,16,21H,2,10-11,13H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63523316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).