N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine

C15H21ClFN — CID 112654147

IUPACN-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H21ClFN/c1-2-4-11(10-18-13-7-8-13)9-12-5-3-6-14(17)15(12)16/h3,5-6,11,13,18H,2,4,7-10H2,1H3
InChIKeyHIJBLJGMEJNPAL-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds7

About N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine

N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine (PubChem CID 112654147) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
PubChem CID112654147
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H21ClFN/c1-2-4-11(10-18-13-7-8-13)9-12-5-3-6-14(17)15(12)16/h3,5-6,11,13,18H,2,4,7-10H2,1H3
InChIKeyHIJBLJGMEJNPAL-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine (CID 112654147) is N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1cccc(F)c1Cl.
What is the InChIKey of N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine?
The InChIKey is HIJBLJGMEJNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-4-11(10-18-13-7-8-13)9-12-5-3-6-14(17)15(12)16/h3,5-6,11,13,18H,2,4,7-10H2,1H3.
What are the key properties of N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine?
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 112654147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).