4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C15H24ClNO — CID 81023645

IUPAC4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-17-9-8-15(2,3)11-12-10-13(16)6-7-14(12)18-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyLQXCKIADTMXOPZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.92
Rot. Bonds7

About 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 81023645) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID81023645
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-17-9-8-15(2,3)11-12-10-13(16)6-7-14(12)18-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyLQXCKIADTMXOPZ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.92
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

N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 81023645) is 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNCCC(C)(C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is LQXCKIADTMXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-17-9-8-15(2,3)11-12-10-13(16)6-7-14(12)18-4/h6-7,10,17H,5,8-9,11H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81023645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).