N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine

C13H20ClNO — CID 106864761

IUPACN-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
SMILESCc1ccc(COCCNC(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(2)15-6-7-16-9-12-5-4-11(3)8-13(12)14/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyHYIYTJKKIILNEZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine

N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine (PubChem CID 106864761) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
PubChem CID106864761
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
SMILESCc1ccc(COCCNC(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(2)15-6-7-16-9-12-5-4-11(3)8-13(12)14/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyHYIYTJKKIILNEZ-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-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

N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
3-[(4-chloro-2-fluorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 114850573
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 106869442
4-amino-1-[2-(propan-2-ylamino)ethoxymethyl]-2-(sulfinoamino)benzene
CID 57067333
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 106869681

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine (CID 106864761) is N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine is Cc1ccc(COCCNC(C)C)c(Cl)c1.
What is the InChIKey of N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine?
The InChIKey is HYIYTJKKIILNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)15-6-7-16-9-12-5-4-11(3)8-13(12)14/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine?
N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 106864761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).