6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine

C16H27NO — CID 83926840

IUPAC6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-14(17)8-6-7-13-9-10-16(18-4)15(11-13)12(2)3/h9-12,14H,5-8,17H2,1-4H3
InChIKeyKVOYYFZNRSHJSP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.88
Rot. Bonds7

About 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine

6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine (PubChem CID 83926840) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
PubChem CID83926840
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-14(17)8-6-7-13-9-10-16(18-4)15(11-13)12(2)3/h9-12,14H,5-8,17H2,1-4H3
InChIKeyKVOYYFZNRSHJSP-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine?
The IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine (CID 83926840) is 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine.
What is the SMILES notation for 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine?
The canonical SMILES for 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine is CCC(N)CCCc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine?
The InChIKey is KVOYYFZNRSHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14(17)8-6-7-13-9-10-16(18-4)15(11-13)12(2)3/h9-12,14H,5-8,17H2,1-4H3.
What are the key properties of 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine?
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine is sourced from PubChem (CID 83926840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).