3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

C16H23NO — CID 66005603

IUPAC3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESCc1ccc(C2CC(NCC3CC(O)C3)C2)cc1
InChIInChI=1S/C16H23NO/c1-11-2-4-13(5-3-11)14-8-15(9-14)17-10-12-6-16(18)7-12/h2-5,12,14-18H,6-10H2,1H3
InChIKeyYVQUBYYOLMITHE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.60
Rot. Bonds4

About 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66005603) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
PubChem CID66005603
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESCc1ccc(C2CC(NCC3CC(O)C3)C2)cc1
InChIInChI=1S/C16H23NO/c1-11-2-4-13(5-3-11)14-8-15(9-14)17-10-12-6-16(18)7-12/h2-5,12,14-18H,6-10H2,1H3
InChIKeyYVQUBYYOLMITHE-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-cyclopropyl-4-[[3-(4-methylphenyl)cyclobutyl]amino]butanamide
CID 79378064
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 55014186
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (CID 66005603) is 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is Cc1ccc(C2CC(NCC3CC(O)C3)C2)cc1.
What is the InChIKey of 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is YVQUBYYOLMITHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-2-4-13(5-3-11)14-8-15(9-14)17-10-12-6-16(18)7-12/h2-5,12,14-18H,6-10H2,1H3.
What are the key properties of 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).