1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol

C18H27NO2 — CID 86993421

IUPAC1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C2CC2)C(C)C2CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13-3-9-18(10-4-13)21-12-17(20)11-19(16-7-8-16)14(2)15-5-6-15/h3-4,9-10,14-17,20H,5-8,11-12H2,1-2H3
InChIKeyDZCASZAHYLNJCF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.00
Rot. Bonds8

About 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol

1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 86993421) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID86993421
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C2CC2)C(C)C2CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13-3-9-18(10-4-13)21-12-17(20)11-19(16-7-8-16)14(2)15-5-6-15/h3-4,9-10,14-17,20H,5-8,11-12H2,1-2H3
InChIKeyDZCASZAHYLNJCF-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
CID 110027696
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
CID 111107122
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol (CID 86993421) is 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CN(C2CC2)C(C)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is DZCASZAHYLNJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-3-9-18(10-4-13)21-12-17(20)11-19(16-7-8-16)14(2)15-5-6-15/h3-4,9-10,14-17,20H,5-8,11-12H2,1-2H3.
What are the key properties of 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol?
1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 86993421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).