1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol

C19H22ClNO — CID 15718633

IUPAC1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCc2ccccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO/c20-18-7-3-6-17(11-18)19(22)13-21-12-14-8-9-15-4-1-2-5-16(15)10-14/h1-7,11,14,19,21-22H,8-10,12-13H2
InChIKeyZOLXUTIZOFULCX-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol

1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol (PubChem CID 15718633) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol
PubChem CID15718633
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCc2ccccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO/c20-18-7-3-6-17(11-18)19(22)13-21-12-14-8-9-15-4-1-2-5-16(15)10-14/h1-7,11,14,19,21-22H,8-10,12-13H2
InChIKeyZOLXUTIZOFULCX-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 15718634
7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718631
ethyl 3-[6-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
CID 19386066
ethyl 3-[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 54414859
ethyl 3-[6-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate;hydrochloride
CID 19386065
(1R)-2-[[(2S)-7-amino-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-(3-chlorophenyl)ethanol
CID 57124190
(1R)-2-[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(3-chlorophenyl)ethanol;dihydrochloride
CID 67685662
(1S)-1-(3-chlorophenyl)-2-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]ethanol
CID 67740591
2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide
CID 15718615
1-(3-chlorophenyl)-2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanol
CID 67832460
2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentyl]phenoxy]acetic acid
CID 18784166
2-[[7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 69135433

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol (CID 15718633) is 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol is OC(CNCC1CCc2ccccc2C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The InChIKey is ZOLXUTIZOFULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-7-3-6-17(11-18)19(22)13-21-12-14-8-9-15-4-1-2-5-16(15)10-14/h1-7,11,14,19,21-22H,8-10,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol?
1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol has a molecular weight of 315.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol is sourced from PubChem (CID 15718633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).