[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol

C16H25NO — CID 115243384

IUPAC[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccc(C(C)C)cc1N(C)CC1(CO)CC1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)15(9-14)17(4)10-16(11-18)7-8-16/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyCWJGNDWFFAZNFF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds5

About [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol

[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243384) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
PubChem CID115243384
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccc(C(C)C)cc1N(C)CC1(CO)CC1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)15(9-14)17(4)10-16(11-18)7-8-16/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyCWJGNDWFFAZNFF-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol 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

N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243413
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228

Frequently Asked Questions

What is the IUPAC name of [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol (CID 115243384) is [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol is Cc1ccc(C(C)C)cc1N(C)CC1(CO)CC1.
What is the InChIKey of [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol?
The InChIKey is CWJGNDWFFAZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-6-5-13(3)15(9-14)17(4)10-16(11-18)7-8-16/h5-6,9,12,18H,7-8,10-11H2,1-4H3.
What are the key properties of [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol?
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).