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

C16H23ClFN — CID 102859251

IUPACN-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-7-8-13)9-12-5-4-6-14(17)15(12)18/h4-6,11,13,19H,7-10H2,1-3H3
InChIKeyYVBWIQOBXROKRQ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds6

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

N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 102859251) 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]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID102859251
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-7-8-13)9-12-5-4-6-14(17)15(12)18/h4-6,11,13,19H,7-10H2,1-3H3
InChIKeyYVBWIQOBXROKRQ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545
3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
2-[(2-chloro-3-fluorophenyl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 112654272
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 102859251) is N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1cccc(Cl)c1F.
What is the InChIKey of N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is YVBWIQOBXROKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-7-8-13)9-12-5-4-6-14(17)15(12)18/h4-6,11,13,19H,7-10H2,1-3H3.
What are the key properties of N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 6 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]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 102859251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).