3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol

C15H23NO — CID 111489141

IUPAC3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(CC1CCC1)C(CCO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-16(12-13-6-5-7-13)15(10-11-17)14-8-3-2-4-9-14/h2-4,8-9,13,15,17H,5-7,10-12H2,1H3
InChIKeyUXEWNFUWKJKBBX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.84
Rot. Bonds6

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

3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol (PubChem CID 111489141) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
PubChem CID111489141
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(CC1CCC1)C(CCO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-16(12-13-6-5-7-13)15(10-11-17)14-8-3-2-4-9-14/h2-4,8-9,13,15,17H,5-7,10-12H2,1H3
InChIKeyUXEWNFUWKJKBBX-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol (CID 111489141) is 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol is CN(CC1CCC1)C(CCO)c1ccccc1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The InChIKey is UXEWNFUWKJKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(12-13-6-5-7-13)15(10-11-17)14-8-3-2-4-9-14/h2-4,8-9,13,15,17H,5-7,10-12H2,1H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol?
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).