N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine

C11H13ClFN — CID 83821384

IUPACN-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
SMILESFCC(NC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClFN/c12-9-3-1-2-8(6-9)11(7-13)14-10-4-5-10/h1-3,6,10-11,14H,4-5,7H2
InChIKeyMFIJSCCYLPFXFQ-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine

N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine (PubChem CID 83821384) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
PubChem CID83821384
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC NameN-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
SMILESFCC(NC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClFN/c12-9-3-1-2-8(6-9)11(7-13)14-10-4-5-10/h1-3,6,10-11,14H,4-5,7H2
InChIKeyMFIJSCCYLPFXFQ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
CID 113414414

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine?
The IUPAC name of N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine (CID 83821384) is N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine is FCC(NC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine?
The InChIKey is MFIJSCCYLPFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-3-1-2-8(6-9)11(7-13)14-10-4-5-10/h1-3,6,10-11,14H,4-5,7H2.
What are the key properties of N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine?
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine has a molecular weight of 213.68 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine is sourced from PubChem (CID 83821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).