2-(2-chloro-6-methylanilino)cycloheptan-1-ol

C14H20ClNO — CID 66253473

IUPAC2-(2-chloro-6-methylanilino)cycloheptan-1-ol
SMILESCc1cccc(Cl)c1NC1CCCCCC1O
InChIInChI=1S/C14H20ClNO/c1-10-6-5-7-11(15)14(10)16-12-8-3-2-4-9-13(12)17/h5-7,12-13,16-17H,2-4,8-9H2,1H3
InChIKeyNLCROZQJTWIZRP-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.75
Rot. Bonds2

About 2-(2-chloro-6-methylanilino)cycloheptan-1-ol

2-(2-chloro-6-methylanilino)cycloheptan-1-ol (PubChem CID 66253473) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)cycloheptan-1-ol
PubChem CID66253473
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(2-chloro-6-methylanilino)cycloheptan-1-ol
SMILESCc1cccc(Cl)c1NC1CCCCCC1O
InChIInChI=1S/C14H20ClNO/c1-10-6-5-7-11(15)14(10)16-12-8-3-2-4-9-13(12)17/h5-7,12-13,16-17H,2-4,8-9H2,1H3
InChIKeyNLCROZQJTWIZRP-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)cycloheptan-1-ol?
The IUPAC name of 2-(2-chloro-6-methylanilino)cycloheptan-1-ol (CID 66253473) is 2-(2-chloro-6-methylanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(2-chloro-6-methylanilino)cycloheptan-1-ol is Cc1cccc(Cl)c1NC1CCCCCC1O.
What is the InChIKey of 2-(2-chloro-6-methylanilino)cycloheptan-1-ol?
The InChIKey is NLCROZQJTWIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-5-7-11(15)14(10)16-12-8-3-2-4-9-13(12)17/h5-7,12-13,16-17H,2-4,8-9H2,1H3.
What are the key properties of 2-(2-chloro-6-methylanilino)cycloheptan-1-ol?
2-(2-chloro-6-methylanilino)cycloheptan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)cycloheptan-1-ol is sourced from PubChem (CID 66253473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).