2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine

C16H25NO2 — CID 83154180

IUPAC2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)C(C)C2CC2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12,16H,4-7,17H2,1-3H3
InChIKeyGVZVPLHKYLNVSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds7

About 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine

2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine (PubChem CID 83154180) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
PubChem CID83154180
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)C(C)C2CC2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12,16H,4-7,17H2,1-3H3
InChIKeyGVZVPLHKYLNVSR-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
2-(3,4-diethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83973833
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
CID 116715145
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
CID 83150104
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine (CID 83154180) is 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine is CCOc1ccc(C(N)C(C)C2CC2)cc1OCC.
What is the InChIKey of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine?
The InChIKey is GVZVPLHKYLNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12,16H,4-7,17H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine?
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83154180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).