N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine

C18H19ClFN — CID 43758292

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H19ClFN/c19-16-7-5-15(6-8-16)18(14-3-4-14)21-12-11-13-1-9-17(20)10-2-13/h1-2,5-10,14,18,21H,3-4,11-12H2
InChIKeyOUGUBMFDKOOJCI-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.76
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 43758292) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
PubChem CID43758292
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H19ClFN/c19-16-7-5-15(6-8-16)18(14-3-4-14)21-12-11-13-1-9-17(20)10-2-13/h1-2,5-10,14,18,21H,3-4,11-12H2
InChIKeyOUGUBMFDKOOJCI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80682342
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine (CID 43758292) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNC(c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is OUGUBMFDKOOJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-16-7-5-15(6-8-16)18(14-3-4-14)21-12-11-13-1-9-17(20)10-2-13/h1-2,5-10,14,18,21H,3-4,11-12H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43758292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).