1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine

C16H26ClNO — CID 105176967

IUPAC1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)COc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-18-15(9-5-7-13(2)3)12-19-16-10-6-8-14(17)11-16/h6,8,10-11,13,15,18H,4-5,7,9,12H2,1-3H3
InChIKeyQZIHJZXUISCKTF-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.52
Rot. Bonds9

About 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine

1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine (PubChem CID 105176967) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
PubChem CID105176967
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)COc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-18-15(9-5-7-13(2)3)12-19-16-10-6-8-14(17)11-16/h6,8,10-11,13,15,18H,4-5,7,9,12H2,1-3H3
InChIKeyQZIHJZXUISCKTF-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
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2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
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1-chloro-3-(2-methylbutoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine (CID 105176967) is 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine is CCNC(CCCC(C)C)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine?
The InChIKey is QZIHJZXUISCKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-18-15(9-5-7-13(2)3)12-19-16-10-6-8-14(17)11-16/h6,8,10-11,13,15,18H,4-5,7,9,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine?
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine is sourced from PubChem (CID 105176967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).