1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine

C17H29N — CID 79413154

IUPAC1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(CC)cc1)NC(C)C
InChIInChI=1S/C17H29N/c1-5-7-8-17(18-14(3)4)13-16-11-9-15(6-2)10-12-16/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyUGILXPHBFOQTQU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine

1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine (PubChem CID 79413154) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
PubChem CID79413154
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(CC)cc1)NC(C)C
InChIInChI=1S/C17H29N/c1-5-7-8-17(18-14(3)4)13-16-11-9-15(6-2)10-12-16/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyUGILXPHBFOQTQU-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
N-propan-2-yltridecan-5-amine
CID 79413155
N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-ylheptadecan-5-amine
CID 79412665

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine (CID 79413154) is 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1ccc(CC)cc1)NC(C)C.
What is the InChIKey of 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is UGILXPHBFOQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-17(18-14(3)4)13-16-11-9-15(6-2)10-12-16/h9-12,14,17-18H,5-8,13H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine?
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79413154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).