6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine

C17H28ClNO — CID 83937719

IUPAC6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
SMILESCCCOc1cc(C)c(Cl)cc1CCCC(N)C(C)C
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)15(18)11-14(17)7-6-8-16(19)12(2)3/h10-12,16H,5-9,19H2,1-4H3
InChIKeyDPYGGRMNOGVJDI-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.74
Rot. Bonds8

About 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine

6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine (PubChem CID 83937719) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
PubChem CID83937719
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
SMILESCCCOc1cc(C)c(Cl)cc1CCCC(N)C(C)C
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)15(18)11-14(17)7-6-8-16(19)12(2)3/h10-12,16H,5-9,19H2,1-4H3
InChIKeyDPYGGRMNOGVJDI-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
CID 83937730
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
1-(3-bromopropyl)-5-chloro-2-ethoxy-4-methylbenzene
CID 83937584
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine (CID 83937719) is 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine is CCCOc1cc(C)c(Cl)cc1CCCC(N)C(C)C.
What is the InChIKey of 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine?
The InChIKey is DPYGGRMNOGVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)15(18)11-14(17)7-6-8-16(19)12(2)3/h10-12,16H,5-9,19H2,1-4H3.
What are the key properties of 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine?
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine has a molecular weight of 297.87 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83937719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).