1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol

C18H29NO — CID 65107241

IUPAC1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(CCC(C)NCC2(O)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-15-7-6-8-17(13-15)10-9-16(2)19-14-18(20)11-4-3-5-12-18/h6-8,13,16,19-20H,3-5,9-12,14H2,1-2H3
InChIKeyOTKQEAUCSODPEN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds6

About 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol

1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol (PubChem CID 65107241) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
PubChem CID65107241
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(CCC(C)NCC2(O)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-15-7-6-8-17(13-15)10-9-16(2)19-14-18(20)11-4-3-5-12-18/h6-8,13,16,19-20H,3-5,9-12,14H2,1-2H3
InChIKeyOTKQEAUCSODPEN-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103903391
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 175883460
N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol (CID 65107241) is 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol is Cc1cccc(CCC(C)NCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The InChIKey is OTKQEAUCSODPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-7-6-8-17(13-15)10-9-16(2)19-14-18(20)11-4-3-5-12-18/h6-8,13,16,19-20H,3-5,9-12,14H2,1-2H3.
What are the key properties of 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65107241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).