[1-(3-chloroanilino)cyclooctyl]methanol

C15H22ClNO — CID 63428436

IUPAC[1-(3-chloroanilino)cyclooctyl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCCCCCC1
InChIInChI=1S/C15H22ClNO/c16-13-7-6-8-14(11-13)17-15(12-18)9-4-2-1-3-5-10-15/h6-8,11,17-18H,1-5,9-10,12H2
InChIKeyBPIRSEUXHKSVOF-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.23
Rot. Bonds3

About [1-(3-chloroanilino)cyclooctyl]methanol

[1-(3-chloroanilino)cyclooctyl]methanol (PubChem CID 63428436) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-(3-chloroanilino)cyclooctyl]methanol.

Molecular Properties

Compound Name[1-(3-chloroanilino)cyclooctyl]methanol
PubChem CID63428436
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-(3-chloroanilino)cyclooctyl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCCCCCC1
InChIInChI=1S/C15H22ClNO/c16-13-7-6-8-14(11-13)17-15(12-18)9-4-2-1-3-5-10-15/h6-8,11,17-18H,1-5,9-10,12H2
InChIKeyBPIRSEUXHKSVOF-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
3-(3-chlorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945718
3-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 102817459
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870
N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
CID 67403837

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroanilino)cyclooctyl]methanol?
The IUPAC name of [1-(3-chloroanilino)cyclooctyl]methanol (CID 63428436) is [1-(3-chloroanilino)cyclooctyl]methanol.
What is the SMILES notation for [1-(3-chloroanilino)cyclooctyl]methanol?
The canonical SMILES for [1-(3-chloroanilino)cyclooctyl]methanol is OCC1(Nc2cccc(Cl)c2)CCCCCCC1.
What is the InChIKey of [1-(3-chloroanilino)cyclooctyl]methanol?
The InChIKey is BPIRSEUXHKSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-13-7-6-8-14(11-13)17-15(12-18)9-4-2-1-3-5-10-15/h6-8,11,17-18H,1-5,9-10,12H2.
What are the key properties of [1-(3-chloroanilino)cyclooctyl]methanol?
[1-(3-chloroanilino)cyclooctyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroanilino)cyclooctyl]methanol is sourced from PubChem (CID 63428436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).