1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol

C18H24N2OS — CID 155951487

IUPAC1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cccs1)c1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C18H24N2OS/c1-20(13-17-4-2-11-22-17)16-7-5-15(6-8-16)12-19-14-18(21)9-3-10-18/h2,4-8,11,19,21H,3,9-10,12-14H2,1H3
InChIKeyUXNZPYMVQRWLIN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.39
Rot. Bonds7

About 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol

1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol (PubChem CID 155951487) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
PubChem CID155951487
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cccs1)c1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C18H24N2OS/c1-20(13-17-4-2-11-22-17)16-7-5-15(6-8-16)12-19-14-18(21)9-3-10-18/h2,4-8,11,19,21H,3,9-10,12-14H2,1H3
InChIKeyUXNZPYMVQRWLIN-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]thian-4-ol
CID 111436704
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol (CID 155951487) is 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol is CN(Cc1cccs1)c1ccc(CNCC2(O)CCC2)cc1.
What is the InChIKey of 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol?
The InChIKey is UXNZPYMVQRWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-20(13-17-4-2-11-22-17)16-7-5-15(6-8-16)12-19-14-18(21)9-3-10-18/h2,4-8,11,19,21H,3,9-10,12-14H2,1H3.
What are the key properties of 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol?
1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol has a molecular weight of 316.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 155951487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).