1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

C16H26ClNO — CID 116725602

IUPAC1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cccc(Cl)c1)NC)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-8-7-9-13(17)10-12/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyULDKIDBKOYGFQQ-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116725602) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116725602
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cccc(Cl)c1)NC)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-8-7-9-13(17)10-12/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyULDKIDBKOYGFQQ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
CID 64533188
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725530
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725685
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
[1-(3-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273876
[3-(3-chlorophenyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279369
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (CID 116725602) is 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is CCOC(C(Cc1cccc(Cl)c1)NC)C(C)(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is ULDKIDBKOYGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-8-7-9-13(17)10-12/h7-10,14-15,18H,6,11H2,1-5H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116725602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).