3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol

C18H29NO2 — CID 62617474

IUPAC3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCOCCN(CCC(O)c1ccc(C)cc1)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-14-4-6-17(7-5-14)18(20)10-11-19(12-13-21-3)15(2)16-8-9-16/h4-7,15-16,18,20H,8-13H2,1-3H3
InChIKeyIHFCJAVVFNPSRO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.17
Rot. Bonds9

About 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol

3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol (PubChem CID 62617474) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol
PubChem CID62617474
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCOCCN(CCC(O)c1ccc(C)cc1)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-14-4-6-17(7-5-14)18(20)10-11-19(12-13-21-3)15(2)16-8-9-16/h4-7,15-16,18,20H,8-13H2,1-3H3
InChIKeyIHFCJAVVFNPSRO-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79037102
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
2-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64826962
2-(cyclopropylamino)-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64825763
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872820
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol (CID 62617474) is 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol is COCCN(CCC(O)c1ccc(C)cc1)C(C)C1CC1.
What is the InChIKey of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is IHFCJAVVFNPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-4-6-17(7-5-14)18(20)10-11-19(12-13-21-3)15(2)16-8-9-16/h4-7,15-16,18,20H,8-13H2,1-3H3.
What are the key properties of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol?
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 62617474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).