3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol

C16H25NO — CID 62271507

IUPAC3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol
SMILESCC(C1CC1)N(C)CC(C)(CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(14-9-10-14)17(3)11-16(2,12-18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3
InChIKeyGCWXSIPTLDINDB-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.67
Rot. Bonds6

About 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol

3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol (PubChem CID 62271507) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol
PubChem CID62271507
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol
SMILESCC(C1CC1)N(C)CC(C)(CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(14-9-10-14)17(3)11-16(2,12-18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3
InChIKeyGCWXSIPTLDINDB-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
CID 77360899
2-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]-2-methylpropan-1-ol
CID 64797072
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
1-N-(1-cyclopropylethyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79810726
N-cyclopropyl-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62262364
N,2-dimethyl-2-phenyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 62262825
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol (CID 62271507) is 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol is CC(C1CC1)N(C)CC(C)(CO)c1ccccc1.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol?
The InChIKey is GCWXSIPTLDINDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-9-10-14)17(3)11-16(2,12-18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3.
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol?
3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 62271507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).