N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine

C11H13ClFN — CID 80503769

IUPACN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
SMILESFc1ccc(CCNC2CC2)cc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-7-8(1-4-11(10)13)5-6-14-9-2-3-9/h1,4,7,9,14H,2-3,5-6H2
InChIKeyOWZCXICXGIDFFT-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine

N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine (PubChem CID 80503769) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
PubChem CID80503769
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
SMILESFc1ccc(CCNC2CC2)cc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-7-8(1-4-11(10)13)5-6-14-9-2-3-9/h1,4,7,9,14H,2-3,5-6H2
InChIKeyOWZCXICXGIDFFT-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28646531
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
N-(azetidin-3-ylmethyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 115207813
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine (CID 80503769) is N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine is Fc1ccc(CCNC2CC2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine?
The InChIKey is OWZCXICXGIDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-7-8(1-4-11(10)13)5-6-14-9-2-3-9/h1,4,7,9,14H,2-3,5-6H2.
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine?
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine has a molecular weight of 213.68 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 80503769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).