2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol

C20H24ClNO — CID 118153549

IUPAC2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
SMILESCNCCc1cc(Cl)c(O)cc1[C@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C20H24ClNO/c1-13-7-8-14-5-3-4-6-16(14)20(13)17-12-19(23)18(21)11-15(17)9-10-22-2/h3-6,11-13,20,22-23H,7-10H2,1-2H3/t13-,20+/m0/s1
InChIKeyQRCASZMMSUKTBQ-RNODOKPDSA-N
MW329.87 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol

2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol (PubChem CID 118153549) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
PubChem CID118153549
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
SMILESCNCCc1cc(Cl)c(O)cc1[C@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C20H24ClNO/c1-13-7-8-14-5-3-4-6-16(14)20(13)17-12-19(23)18(21)11-15(17)9-10-22-2/h3-6,11-13,20,22-23H,7-10H2,1-2H3/t13-,20+/m0/s1
InChIKeyQRCASZMMSUKTBQ-RNODOKPDSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The IUPAC name of 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol (CID 118153549) is 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The canonical SMILES for 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol is CNCCc1cc(Cl)c(O)cc1[C@H]1c2ccccc2CC[C@@H]1C.
What is the InChIKey of 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The InChIKey is QRCASZMMSUKTBQ-RNODOKPDSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-13-7-8-14-5-3-4-6-16(14)20(13)17-12-19(23)18(21)11-15(17)9-10-22-2/h3-6,11-13,20,22-23H,7-10H2,1-2H3/t13-,20+/m0/s1.
What are the key properties of 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol has a molecular weight of 329.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(methylamino)ethyl]-5-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol is sourced from PubChem (CID 118153549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).