N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine

C14H22ClNO — CID 105007905

IUPACN-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyAHRUENFGFXJLQT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.73
Rot. Bonds7

About N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine

N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine (PubChem CID 105007905) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
PubChem CID105007905
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyAHRUENFGFXJLQT-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-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-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
CID 115818780
N-[1-(3-chloro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996982
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996086
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 103406671
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine (CID 105007905) is N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1cc(C)cc(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is AHRUENFGFXJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3.
What are the key properties of N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine?
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 105007905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).