4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol

C19H31NO — CID 106125736

IUPAC4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)CC(NCC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-19(2,3)13-18(16-7-5-4-6-8-16)20-14-15-9-11-17(21)12-10-15/h4-8,15,17-18,20-21H,9-14H2,1-3H3
InChIKeyZFUOKWJPXRJYGB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.30
Rot. Bonds5

About 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol

4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106125736) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
PubChem CID106125736
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)CC(NCC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-19(2,3)13-18(16-7-5-4-6-8-16)20-14-15-9-11-17(21)12-10-15/h4-8,15,17-18,20-21H,9-14H2,1-3H3
InChIKeyZFUOKWJPXRJYGB-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
(1S)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 93462942
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82836542
[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
CID 115454441
2-(cyclohexylmethyl)-3-[(3,3-dimethyl-1-phenylbutyl)amino]propan-1-ol
CID 166383585
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol (CID 106125736) is 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol is CC(C)(C)CC(NCC1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZFUOKWJPXRJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)13-18(16-7-5-4-6-8-16)20-14-15-9-11-17(21)12-10-15/h4-8,15,17-18,20-21H,9-14H2,1-3H3.
What are the key properties of 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol?
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).