[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C20H23ClN2O2 — CID 142710204

IUPAC[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESNCCc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(NC(=O)O)CC2
InChIInChI=1S/C20H23ClN2O2/c21-16-3-1-2-14(10-16)12-18-17-11-13(8-9-22)4-5-15(17)6-7-19(18)23-20(24)25/h1-5,10-11,18-19,23H,6-9,12,22H2,(H,24,25)
InChIKeyXCAZAZOOLSYMIX-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.75
Rot. Bonds5

About [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 142710204) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID142710204
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESNCCc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(NC(=O)O)CC2
InChIInChI=1S/C20H23ClN2O2/c21-16-3-1-2-14(10-16)12-18-17-11-13(8-9-22)4-5-15(17)6-7-19(18)23-20(24)25/h1-5,10-11,18-19,23H,6-9,12,22H2,(H,24,25)
InChIKeyXCAZAZOOLSYMIX-UHFFFAOYSA-N
XLogP3.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 142710204) is [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is NCCc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(NC(=O)O)CC2.
What is the InChIKey of [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is XCAZAZOOLSYMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-16-3-1-2-14(10-16)12-18-17-11-13(8-9-22)4-5-15(17)6-7-19(18)23-20(24)25/h1-5,10-11,18-19,23H,6-9,12,22H2,(H,24,25).
What are the key properties of [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 358.87 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 142710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).