N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine

C18H31NO — CID 115845454

IUPACN-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
SMILESCCCC(C)CC(NCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H31NO/c1-6-9-15(5)12-18(19-7-2)16-10-8-11-17(13-16)20-14(3)4/h8,10-11,13-15,18-19H,6-7,9,12H2,1-5H3
InChIKeyVNMKSYZTJGNYAW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds9

About N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine

N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine (PubChem CID 115845454) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
PubChem CID115845454
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
SMILESCCCC(C)CC(NCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H31NO/c1-6-9-15(5)12-18(19-7-2)16-10-8-11-17(13-16)20-14(3)4/h8,10-11,13-15,18-19H,6-7,9,12H2,1-5H3
InChIKeyVNMKSYZTJGNYAW-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine (CID 115845454) is N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine is CCCC(C)CC(NCC)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine?
The InChIKey is VNMKSYZTJGNYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-9-15(5)12-18(19-7-2)16-10-8-11-17(13-16)20-14(3)4/h8,10-11,13-15,18-19H,6-7,9,12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine?
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine is sourced from PubChem (CID 115845454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).