1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride

C19H24ClN3O — CID 129111805

IUPAC1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H](N)C3)cc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-2-13-3-8-17(9-4-13)21-19(23)22-18-10-6-14-11-16(20)7-5-15(14)12-18;/h3-4,6,8-10,12,16H,2,5,7,11,20H2,1H3,(H2,21,22,23);1H/t16-;/m0./s1
InChIKeyKMDAKQVUBMSIKB-NTISSMGPSA-N
MW345.87 g/mol
LogP4.13
Rot. Bonds3

About 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride

1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride (PubChem CID 129111805) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
PubChem CID129111805
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H](N)C3)cc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-2-13-3-8-17(9-4-13)21-19(23)22-18-10-6-14-11-16(20)7-5-15(14)12-18;/h3-4,6,8-10,12,16H,2,5,7,11,20H2,1H3,(H2,21,22,23);1H/t16-;/m0./s1
InChIKeyKMDAKQVUBMSIKB-NTISSMGPSA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide
CID 118694639
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193207
6-amino-N-(6-ethoxy-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 129111807
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride?
The IUPAC name of 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride (CID 129111805) is 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride?
The canonical SMILES for 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride is CCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H](N)C3)cc1.Cl.
What is the InChIKey of 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride?
The InChIKey is KMDAKQVUBMSIKB-NTISSMGPSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-2-13-3-8-17(9-4-13)21-19(23)22-18-10-6-14-11-16(20)7-5-15(14)12-18;/h3-4,6,8-10,12,16H,2,5,7,11,20H2,1H3,(H2,21,22,23);1H/t16-;/m0./s1.
What are the key properties of 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride?
1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride is sourced from PubChem (CID 129111805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).