1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine

C15H24ClNO — CID 105139931

IUPAC1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)COc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-15(2,3)9-8-13(17-4)11-18-14-7-5-6-12(16)10-14/h5-7,10,13,17H,8-9,11H2,1-4H3
InChIKeySSUZWPMDBAKWHR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine

1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine (PubChem CID 105139931) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
PubChem CID105139931
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)COc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-15(2,3)9-8-13(17-4)11-18-14-7-5-6-12(16)10-14/h5-7,10,13,17H,8-9,11H2,1-4H3
InChIKeySSUZWPMDBAKWHR-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211647
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 105150152
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine (CID 105139931) is 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine is CNC(CCC(C)(C)C)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine?
The InChIKey is SSUZWPMDBAKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-15(2,3)9-8-13(17-4)11-18-14-7-5-6-12(16)10-14/h5-7,10,13,17H,8-9,11H2,1-4H3.
What are the key properties of 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine?
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine is sourced from PubChem (CID 105139931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).