N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine

C16H27NO — CID 105008300

IUPACN-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccccc1CC
InChIInChI=1S/C16H27NO/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyKSUSKNGGODSOME-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.72
Rot. Bonds9

About N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine

N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine (PubChem CID 105008300) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
PubChem CID105008300
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccccc1CC
InChIInChI=1S/C16H27NO/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyKSUSKNGGODSOME-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63474742
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
N-[1-(4-chloro-2-methoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 105008460
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
N-[1-(4-chloro-2,5-difluorophenyl)-2-propoxyethyl]propan-1-amine
CID 105008662
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine (CID 105008300) is N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1ccccc1CC.
What is the InChIKey of N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine?
The InChIKey is KSUSKNGGODSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h7-10,16-17H,4-6,11-13H2,1-3H3.
What are the key properties of N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine?
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 105008300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).