N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

C18H19ClFN — CID 116517490

IUPACN-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H19ClFN/c1-2-21-18(13-8-9-17(20)16(19)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3
InChIKeyUWFASJVHNMYWHW-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.93
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 116517490) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID116517490
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H19ClFN/c1-2-21-18(13-8-9-17(20)16(19)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3
InChIKeyUWFASJVHNMYWHW-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine
CID 103043186
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 116517490) is N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(F)c(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is UWFASJVHNMYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-2-21-18(13-8-9-17(20)16(19)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 116517490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).