N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine

C15H24ClNO — CID 98033387

IUPACN-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1c(C)cc(Cl)cc1CCCNC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-11-9-13(16)10-12(14(11)18-5)7-6-8-17-15(2,3)4/h9-10,17H,6-8H2,1-5H3
InChIKeyNIRBCHMTWHORSN-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.98
Rot. Bonds5

About N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine

N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 98033387) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
PubChem CID98033387
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1c(C)cc(Cl)cc1CCCNC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-11-9-13(16)10-12(14(11)18-5)7-6-8-17-15(2,3)4/h9-10,17H,6-8H2,1-5H3
InChIKeyNIRBCHMTWHORSN-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine 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

5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
CID 116925047
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
5-chloro-1-(3-isocyanatopropyl)-2-methoxy-3-methylbenzene
CID 95454529
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
3-(5-chloro-2-methoxy-3-methylphenyl)propanenitrile
CID 82470720
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propanenitrile
CID 115231106
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
N'-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butane-1,4-diamine
CID 115201216

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine (CID 98033387) is N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine is COc1c(C)cc(Cl)cc1CCCNC(C)(C)C.
What is the InChIKey of N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is NIRBCHMTWHORSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11-9-13(16)10-12(14(11)18-5)7-6-8-17-15(2,3)4/h9-10,17H,6-8H2,1-5H3.
What are the key properties of N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine?
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 98033387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).