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

C16H23ClFN — CID 102858662

IUPACN-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-11(2)8-12(10-19-14-6-7-14)9-13-4-3-5-15(17)16(13)18/h3-5,11-12,14,19H,6-10H2,1-2H3
InChIKeyNLRYAXJWRVPOMP-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds7

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

N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine (PubChem CID 102858662) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
PubChem CID102858662
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-11(2)8-12(10-19-14-6-7-14)9-13-4-3-5-15(17)16(13)18/h3-5,11-12,14,19H,6-10H2,1-2H3
InChIKeyNLRYAXJWRVPOMP-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 63497972
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine (CID 102858662) is N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine is CC(C)CC(CNC1CC1)Cc1cccc(Cl)c1F.
What is the InChIKey of N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
The InChIKey is NLRYAXJWRVPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-11(2)8-12(10-19-14-6-7-14)9-13-4-3-5-15(17)16(13)18/h3-5,11-12,14,19H,6-10H2,1-2H3.
What are the key properties of N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine?
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine is sourced from PubChem (CID 102858662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).