N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine

C16H25NO2 — CID 114521822

IUPACN-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-3-10-17-16(12-18-4-2)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3
InChIKeyGWRCFUHSWLDDSS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds9

About N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine

N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine (PubChem CID 114521822) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
PubChem CID114521822
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-3-10-17-16(12-18-4-2)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3
InChIKeyGWRCFUHSWLDDSS-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine (CID 114521822) is N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1cccc(OC2CC2)c1.
What is the InChIKey of N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is GWRCFUHSWLDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-17-16(12-18-4-2)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3.
What are the key properties of N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine?
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 114521822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).