1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C14H20ClNO — CID 117387833

IUPAC1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCCc1c(C)c2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C14H20ClNO/c1-9-10-5-3-4-6-12(10)13(15)14(17)11(9)7-8-16-2/h16-17H,3-8H2,1-2H3
InChIKeyKHQVXFNVWHIZPK-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.99
Rot. Bonds3

About 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol

1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117387833) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117387833
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCCc1c(C)c2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C14H20ClNO/c1-9-10-5-3-4-6-12(10)13(15)14(17)11(9)7-8-16-2/h16-17H,3-8H2,1-2H3
InChIKeyKHQVXFNVWHIZPK-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-6-chloro-3,4,5-trimethylphenol;hydrochloride
CID 45259793
2-(Aminomethyl)-6-chloro-3,4,5-trimethylphenol
CID 12652192
2-Chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol
CID 20553842
(4bS,8aR)-2,4-dichloro-4b-[2-(methylamino)ethyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
CID 69932073
2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 118153549
2-chloro-4-methyl-3-[(1E)-2-methyl-3-(propylamino)buta-1,3-dienyl]naphthalen-1-ol
CID 134483842
6-Chloro-2-[2,5-dimethyl-6-(methylamino)hexan-2-yl]-4-ethyl-3-methylphenol
CID 141793408
4-Chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol
CID 82552432
4-Chloro-3,5-dimethyl-2-[2-(methylamino)ethyl]phenol
CID 82553071
4-Chloro-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 83886194
2-(2-Aminoethyl)-6-chloro-3,4-dimethylphenol
CID 84024706
2-Chloro-3,4-dimethyl-6-(methylaminomethyl)phenol
CID 84024707

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117387833) is 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CNCCc1c(C)c2c(c(Cl)c1O)CCCC2.
What is the InChIKey of 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KHQVXFNVWHIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-10-5-3-4-6-12(10)13(15)14(17)11(9)7-8-16-2/h16-17H,3-8H2,1-2H3.
What are the key properties of 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 253.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117387833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).