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

C16H25NO — CID 66004794

IUPAC3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCc1cccc(CCC(C)NCC2CC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-12-4-3-5-14(8-12)7-6-13(2)17-11-15-9-16(18)10-15/h3-5,8,13,15-18H,6-7,9-11H2,1-2H3
InChIKeyWTDCUUFZWHEUAI-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.68
Rot. Bonds6

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

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol (PubChem CID 66004794) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
PubChem CID66004794
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCc1cccc(CCC(C)NCC2CC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-12-4-3-5-14(8-12)7-6-13(2)17-11-15-9-16(18)10-15/h3-5,8,13,15-18H,6-7,9-11H2,1-2H3
InChIKeyWTDCUUFZWHEUAI-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol (CID 66004794) is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol is Cc1cccc(CCC(C)NCC2CC(O)C2)c1.
What is the InChIKey of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol?
The InChIKey is WTDCUUFZWHEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-3-5-14(8-12)7-6-13(2)17-11-15-9-16(18)10-15/h3-5,8,13,15-18H,6-7,9-11H2,1-2H3.
What are the key properties of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol?
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).