3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol

C16H25NO — CID 63940446

IUPAC3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(C)cc1)CC1CC1
InChIInChI=1S/C16H25NO/c1-3-17(12-14-6-7-14)11-10-16(18)15-8-4-13(2)5-9-15/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyVYPGMXBGCDFWEC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds7

About 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol

3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol (PubChem CID 63940446) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
PubChem CID63940446
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(C)cc1)CC1CC1
InChIInChI=1S/C16H25NO/c1-3-17(12-14-6-7-14)11-10-16(18)15-8-4-13(2)5-9-15/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyVYPGMXBGCDFWEC-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 63956514
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol (CID 63940446) is 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol is CCN(CCC(O)c1ccc(C)cc1)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is VYPGMXBGCDFWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17(12-14-6-7-14)11-10-16(18)15-8-4-13(2)5-9-15/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol?
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 63940446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).