N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine

C17H29NO — CID 116544588

IUPACN-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-10-18-17(13-19-6-2)16-9-7-8-15(12-16)11-14(3)4/h7-9,12,14,17-18H,5-6,10-11,13H2,1-4H3
InChIKeyJJLKILQTTPQFFC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.96
Rot. Bonds9

About N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine

N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine (PubChem CID 116544588) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
PubChem CID116544588
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-10-18-17(13-19-6-2)16-9-7-8-15(12-16)11-14(3)4/h7-9,12,14,17-18H,5-6,10-11,13H2,1-4H3
InChIKeyJJLKILQTTPQFFC-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine (CID 116544588) is N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine is CCCNC(COCC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The InChIKey is JJLKILQTTPQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-10-18-17(13-19-6-2)16-9-7-8-15(12-16)11-14(3)4/h7-9,12,14,17-18H,5-6,10-11,13H2,1-4H3.
What are the key properties of N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 116544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).