N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine

C15H21ClFN — CID 81050602

IUPACN-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
SMILESCc1cc(CCCCCNC2CC2)c(Cl)cc1F
InChIInChI=1S/C15H21ClFN/c1-11-9-12(14(16)10-15(11)17)5-3-2-4-8-18-13-6-7-13/h9-10,13,18H,2-8H2,1H3
InChIKeyIYBVFSLWKRVQFK-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.25
Rot. Bonds7

About N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine

N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine (PubChem CID 81050602) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
PubChem CID81050602
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
SMILESCc1cc(CCCCCNC2CC2)c(Cl)cc1F
InChIInChI=1S/C15H21ClFN/c1-11-9-12(14(16)10-15(11)17)5-3-2-4-8-18-13-6-7-13/h9-10,13,18H,2-8H2,1H3
InChIKeyIYBVFSLWKRVQFK-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine
CID 65308387
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[4-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butyl]cyclopropanamine
CID 65305430
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
CID 65305738
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
CID 115118414
N-[4-[2-methyl-5-(methylaminomethyl)furan-3-yl]butyl]cyclopropanamine
CID 66339544
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine (CID 81050602) is N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine is Cc1cc(CCCCCNC2CC2)c(Cl)cc1F.
What is the InChIKey of N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine?
The InChIKey is IYBVFSLWKRVQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-9-12(14(16)10-15(11)17)5-3-2-4-8-18-13-6-7-13/h9-10,13,18H,2-8H2,1H3.
What are the key properties of N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine?
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine has a molecular weight of 269.79 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 81050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).