[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol

C16H25NO — CID 106664005

IUPAC[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
SMILESCc1cccc(NC2(CO)CC(C)(C)CC2C)c1
InChIInChI=1S/C16H25NO/c1-12-6-5-7-14(8-12)17-16(11-18)10-15(3,4)9-13(16)2/h5-8,13,17-18H,9-11H2,1-4H3
InChIKeyDPVWRLOJIDYFNT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds3

About [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol

[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol (PubChem CID 106664005) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
PubChem CID106664005
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
SMILESCc1cccc(NC2(CO)CC(C)(C)CC2C)c1
InChIInChI=1S/C16H25NO/c1-12-6-5-7-14(8-12)17-16(11-18)10-15(3,4)9-13(16)2/h5-8,13,17-18H,9-11H2,1-4H3
InChIKeyDPVWRLOJIDYFNT-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-methylaniline
CID 81321624
[1-(3-bromo-4-chloroanilino)-2,4,4-trimethylcyclopentyl]methanol
CID 106664028
(1-anilino-2,4,4-trimethylcyclohexyl)methanol
CID 81313938
[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-bromoaniline
CID 81321069
[3-(3-bromoanilino)-2-methyloxolan-3-yl]methanol
CID 82717334
[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol
CID 106664022
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol?
The IUPAC name of [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol (CID 106664005) is [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol.
What is the SMILES notation for [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol?
The canonical SMILES for [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol is Cc1cccc(NC2(CO)CC(C)(C)CC2C)c1.
What is the InChIKey of [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol?
The InChIKey is DPVWRLOJIDYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-5-7-14(8-12)17-16(11-18)10-15(3,4)9-13(16)2/h5-8,13,17-18H,9-11H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol?
[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol is sourced from PubChem (CID 106664005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).