1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine

C16H25NO — CID 43533265

IUPAC1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
SMILESCCCOc1ccc(C(C)NC(C)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-11-18-16-9-7-15(8-10-16)13(3)17-12(2)14-5-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3
InChIKeyYSUVVZWPKSDXOC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds7

About 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine

1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine (PubChem CID 43533265) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
PubChem CID43533265
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
SMILESCCCOc1ccc(C(C)NC(C)C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-11-18-16-9-7-15(8-10-16)13(3)17-12(2)14-5-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3
InChIKeyYSUVVZWPKSDXOC-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

2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid
CID 65061806
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 81403664
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine (CID 43533265) is 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine is CCCOc1ccc(C(C)NC(C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine?
The InChIKey is YSUVVZWPKSDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-18-16-9-7-15(8-10-16)13(3)17-12(2)14-5-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine?
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine 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-propoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 43533265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).