N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine

C16H24ClNO — CID 115280986

IUPACN-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
SMILESCC(C)CCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H24ClNO/c1-12(2)5-4-10-19-16-7-3-6-15(17)14(16)11-18-13-8-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3
InChIKeyOTOACNAWSDOFHP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine (PubChem CID 115280986) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
PubChem CID115280986
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
SMILESCC(C)CCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H24ClNO/c1-12(2)5-4-10-19-16-7-3-6-15(17)14(16)11-18-13-8-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3
InChIKeyOTOACNAWSDOFHP-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]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-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine (CID 115280986) is N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine is CC(C)CCCOc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is OTOACNAWSDOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)5-4-10-19-16-7-3-6-15(17)14(16)11-18-13-8-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115280986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).