[1-(4-methylanilino)cycloheptyl]methanol

C15H23NO — CID 61044779

IUPAC[1-(4-methylanilino)cycloheptyl]methanol
SMILESCc1ccc(NC2(CO)CCCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-13-6-8-14(9-7-13)16-15(12-17)10-4-2-3-5-11-15/h6-9,16-17H,2-5,10-12H2,1H3
InChIKeyGPHIXAUDBHGHNS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.49
Rot. Bonds3

About [1-(4-methylanilino)cycloheptyl]methanol

[1-(4-methylanilino)cycloheptyl]methanol (PubChem CID 61044779) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-(4-methylanilino)cycloheptyl]methanol.

Molecular Properties

Compound Name[1-(4-methylanilino)cycloheptyl]methanol
PubChem CID61044779
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-(4-methylanilino)cycloheptyl]methanol
SMILESCc1ccc(NC2(CO)CCCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-13-6-8-14(9-7-13)16-15(12-17)10-4-2-3-5-11-15/h6-9,16-17H,2-5,10-12H2,1H3
InChIKeyGPHIXAUDBHGHNS-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704125
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
CID 64745873
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
CID 90750604
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)cycloheptyl]methanol?
The IUPAC name of [1-(4-methylanilino)cycloheptyl]methanol (CID 61044779) is [1-(4-methylanilino)cycloheptyl]methanol.
What is the SMILES notation for [1-(4-methylanilino)cycloheptyl]methanol?
The canonical SMILES for [1-(4-methylanilino)cycloheptyl]methanol is Cc1ccc(NC2(CO)CCCCCC2)cc1.
What is the InChIKey of [1-(4-methylanilino)cycloheptyl]methanol?
The InChIKey is GPHIXAUDBHGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-6-8-14(9-7-13)16-15(12-17)10-4-2-3-5-11-15/h6-9,16-17H,2-5,10-12H2,1H3.
What are the key properties of [1-(4-methylanilino)cycloheptyl]methanol?
[1-(4-methylanilino)cycloheptyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)cycloheptyl]methanol is sourced from PubChem (CID 61044779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).