[2-methyl-1-(4-methylanilino)cyclopentyl]methanol

C14H21NO — CID 65049776

IUPAC[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
SMILESCc1ccc(NC2(CO)CCCC2C)cc1
InChIInChI=1S/C14H21NO/c1-11-5-7-13(8-6-11)15-14(10-16)9-3-4-12(14)2/h5-8,12,15-16H,3-4,9-10H2,1-2H3
InChIKeyZZBVDNDOHNMGNE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About [2-methyl-1-(4-methylanilino)cyclopentyl]methanol

[2-methyl-1-(4-methylanilino)cyclopentyl]methanol (PubChem CID 65049776) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [2-methyl-1-(4-methylanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
PubChem CID65049776
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
SMILESCc1ccc(NC2(CO)CCCC2C)cc1
InChIInChI=1S/C14H21NO/c1-11-5-7-13(8-6-11)15-14(10-16)9-3-4-12(14)2/h5-8,12,15-16H,3-4,9-10H2,1-2H3
InChIKeyZZBVDNDOHNMGNE-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Methylanilino)pentan-1-ol
CID 10511987
[1-(4-Fluoro-3-methyl-phenylamino)-cyclopentyl]-methanol
CID 59683293
2-[[4-(Dimethylamino)phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2950535
Propan-1-ol, 2-(4-dimethylaminobenzylamino)-2-methyl-
CID 272311
[1-(Phenylamino)cyclohexyl]methanol
CID 61046619
2-{4-[(4-Methylphenyl)amino]phenyl}ethan-1-ol
CID 11148865
2-Anilino-2-phenylbutan-1-ol
CID 61046783
2-[4-(Hexylamino)phenyl]ethanol
CID 61239094
rel-(1R,2R)-2-((4-(1-Methylethyl)phenyl)amino)cyclohexanol
CID 113729448
(2S)-2-anilino-2-phenylbut-3-en-1-ol
CID 132490513
(2S)-2-anilino-2-(4-methylphenyl)but-3-en-1-ol
CID 132490514
(2S)-2-(2-methylanilino)-2-phenylbut-3-en-1-ol
CID 134956574

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-methylanilino)cyclopentyl]methanol?
The IUPAC name of [2-methyl-1-(4-methylanilino)cyclopentyl]methanol (CID 65049776) is [2-methyl-1-(4-methylanilino)cyclopentyl]methanol.
What is the SMILES notation for [2-methyl-1-(4-methylanilino)cyclopentyl]methanol?
The canonical SMILES for [2-methyl-1-(4-methylanilino)cyclopentyl]methanol is Cc1ccc(NC2(CO)CCCC2C)cc1.
What is the InChIKey of [2-methyl-1-(4-methylanilino)cyclopentyl]methanol?
The InChIKey is ZZBVDNDOHNMGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-7-13(8-6-11)15-14(10-16)9-3-4-12(14)2/h5-8,12,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of [2-methyl-1-(4-methylanilino)cyclopentyl]methanol?
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-methylanilino)cyclopentyl]methanol is sourced from PubChem (CID 65049776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).