N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C21H28ClNS — CID 19075676

IUPACN-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCCCCCN(C)C1Cc2ccccc2C1Sc1ccccc1.Cl
InChIInChI=1S/C21H27NS.ClH/c1-3-4-10-15-22(2)20-16-17-11-8-9-14-19(17)21(20)23-18-12-6-5-7-13-18;/h5-9,11-14,20-21H,3-4,10,15-16H2,1-2H3;1H
InChIKeyQTOOSKYQABINCX-UHFFFAOYSA-N
MW361.98 g/mol
LogP5.99
Rot. Bonds7

About N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 19075676) has the molecular formula C21H28ClNS and a molecular weight of 361.98 g/mol. Its IUPAC name is N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID19075676
Molecular FormulaC21H28ClNS
Molecular Weight361.98 g/mol
Exact Mass361.16
IUPAC NameN-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCCCCCN(C)C1Cc2ccccc2C1Sc1ccccc1.Cl
InChIInChI=1S/C21H27NS.ClH/c1-3-4-10-15-22(2)20-16-17-11-8-9-14-19(17)21(20)23-18-12-6-5-7-13-18;/h5-9,11-14,20-21H,3-4,10,15-16H2,1-2H3;1H
InChIKeyQTOOSKYQABINCX-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.98
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
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(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67652082
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ethyl-[(1R,2R)-1-(1H-imidazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid
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CID 23333551
N-methyl-N-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
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(2R,2aS,7aS)-2-phenylsulfanyl-2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-one
CID 10491999
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 19075676) is N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CCCCCN(C)C1Cc2ccccc2C1Sc1ccccc1.Cl.
What is the InChIKey of N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is QTOOSKYQABINCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NS.ClH/c1-3-4-10-15-22(2)20-16-17-11-8-9-14-19(17)21(20)23-18-12-6-5-7-13-18;/h5-9,11-14,20-21H,3-4,10,15-16H2,1-2H3;1H.
What are the key properties of N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 361.98 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 19075676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).