1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

C18H31NO — CID 115849837

IUPAC1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C18H31NO/c1-6-14-19-17(12-13-18(3,4)5)15-8-10-16(11-9-15)20-7-2/h8-11,17,19H,6-7,12-14H2,1-5H3
InChIKeyWEEIGXKFLNBOGD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds8

About 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 115849837) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID115849837
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C18H31NO/c1-6-14-19-17(12-13-18(3,4)5)15-8-10-16(11-9-15)20-7-2/h8-11,17,19H,6-7,12-14H2,1-5H3
InChIKeyWEEIGXKFLNBOGD-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 115849837) is 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is WEEIGXKFLNBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-14-19-17(12-13-18(3,4)5)15-8-10-16(11-9-15)20-7-2/h8-11,17,19H,6-7,12-14H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 115849837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).