1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine

C14H22ClNO — CID 106866285

IUPAC1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
SMILESCCOCCCC(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-17-8-4-5-13(16)10-12-7-6-11(2)9-14(12)15/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyINOVDRGKHPQFKU-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.33
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine

1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine (PubChem CID 106866285) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
PubChem CID106866285
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
SMILESCCOCCCC(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-17-8-4-5-13(16)10-12-7-6-11(2)9-14(12)15/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyINOVDRGKHPQFKU-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine (CID 106866285) is 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine is CCOCCCC(N)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine?
The InChIKey is INOVDRGKHPQFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-17-8-4-5-13(16)10-12-7-6-11(2)9-14(12)15/h6-7,9,13H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine?
1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine is sourced from PubChem (CID 106866285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).