1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine

C16H25NO — CID 64918622

IUPAC1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCOc1ccc(C(C)NC(CC)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(14-6-7-14)17-12(3)13-8-10-15(11-9-13)18-5-2/h8-12,14,16-17H,4-7H2,1-3H3
InChIKeyDSBOLTUIWPFESK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds7

About 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine

1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine (PubChem CID 64918622) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
PubChem CID64918622
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCOc1ccc(C(C)NC(CC)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(14-6-7-14)17-12(3)13-8-10-15(11-9-13)18-5-2/h8-12,14,16-17H,4-7H2,1-3H3
InChIKeyDSBOLTUIWPFESK-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[1-(1-cyclohexylpropylamino)ethyl]phenol
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1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
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1-cyclopropyl-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]ethanamine
CID 81370901
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738
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2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine (CID 64918622) is 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine is CCOc1ccc(C(C)NC(CC)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is DSBOLTUIWPFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(14-6-7-14)17-12(3)13-8-10-15(11-9-13)18-5-2/h8-12,14,16-17H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine?
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64918622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).