(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine

C13H19NO2 — CID 171231843

IUPAC(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
SMILESCCOc1ccc([C@@H](N)C2CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-11-7-6-10(8-12(11)15-2)13(14)9-4-5-9/h6-9,13H,3-5,14H2,1-2H3/t13-/m0/s1
InChIKeyTVJVMDWTFDPMIR-ZDUSSCGKSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds5

About (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine

(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine (PubChem CID 171231843) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
PubChem CID171231843
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
SMILESCCOc1ccc([C@@H](N)C2CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-11-7-6-10(8-12(11)15-2)13(14)9-4-5-9/h6-9,13H,3-5,14H2,1-2H3/t13-/m0/s1
InChIKeyTVJVMDWTFDPMIR-ZDUSSCGKSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine (CID 171231843) is (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine is CCOc1ccc([C@@H](N)C2CC2)cc1OC.
What is the InChIKey of (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine?
The InChIKey is TVJVMDWTFDPMIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-11-7-6-10(8-12(11)15-2)13(14)9-4-5-9/h6-9,13H,3-5,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine?
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine is sourced from PubChem (CID 171231843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).