3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine

C16H25NO — CID 115890665

IUPAC3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCOc1ccccc1C(C)NCCCC1CC1
InChIInChI=1S/C16H25NO/c1-3-18-16-9-5-4-8-15(16)13(2)17-12-6-7-14-10-11-14/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3
InChIKeyKTCCGQCRSLGKRO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds8

About 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine

3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine (PubChem CID 115890665) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
PubChem CID115890665
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCOc1ccccc1C(C)NCCCC1CC1
InChIInChI=1S/C16H25NO/c1-3-18-16-9-5-4-8-15(16)13(2)17-12-6-7-14-10-11-14/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3
InChIKeyKTCCGQCRSLGKRO-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
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

N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine (CID 115890665) is 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine is CCOc1ccccc1C(C)NCCCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is KTCCGQCRSLGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-18-16-9-5-4-8-15(16)13(2)17-12-6-7-14-10-11-14/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115890665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).