1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol

C16H25NO — CID 63830115

IUPAC1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
SMILESCC1(CNCC(C)(O)c2ccccc2)CCCC1
InChIInChI=1S/C16H25NO/c1-15(10-6-7-11-15)12-17-13-16(2,18)14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3
InChIKeyJLOBKNKLCWIWME-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds5

About 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol

1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol (PubChem CID 63830115) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
PubChem CID63830115
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
SMILESCC1(CNCC(C)(O)c2ccccc2)CCCC1
InChIInChI=1S/C16H25NO/c1-15(10-6-7-11-15)12-17-13-16(2,18)14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3
InChIKeyJLOBKNKLCWIWME-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 62373186
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
CID 81418444
1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
CID 78956096
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
CID 79222635
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol (CID 63830115) is 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol is CC1(CNCC(C)(O)c2ccccc2)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is JLOBKNKLCWIWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(10-6-7-11-15)12-17-13-16(2,18)14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3.
What are the key properties of 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol?
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 63830115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).