N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

C17H26ClNO — CID 83151545

IUPACN-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1CC(C)(CNC1CC1)C(C)C
InChIInChI=1S/C17H26ClNO/c1-12(2)17(3,11-19-15-6-7-15)10-13-9-14(18)5-8-16(13)20-4/h5,8-9,12,15,19H,6-7,10-11H2,1-4H3
InChIKeyVLPGNDJBDBJLRY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 83151545) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID83151545
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(Cl)cc1CC(C)(CNC1CC1)C(C)C
InChIInChI=1S/C17H26ClNO/c1-12(2)17(3,11-19-15-6-7-15)10-13-9-14(18)5-8-16(13)20-4/h5,8-9,12,15,19H,6-7,10-11H2,1-4H3
InChIKeyVLPGNDJBDBJLRY-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 83151545) is N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is COc1ccc(Cl)cc1CC(C)(CNC1CC1)C(C)C.
What is the InChIKey of N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is VLPGNDJBDBJLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12(2)17(3,11-19-15-6-7-15)10-13-9-14(18)5-8-16(13)20-4/h5,8-9,12,15,19H,6-7,10-11H2,1-4H3.
What are the key properties of N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 295.85 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).