2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline

C25H24N2OS — CID 141088593

IUPAC2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1CNCCOc1cccc2ccccc12
InChIInChI=1S/C25H24N2OS/c26-22-12-4-6-15-25(22)29-24-14-5-2-9-20(24)18-27-16-17-28-23-13-7-10-19-8-1-3-11-21(19)23/h1-15,27H,16-18,26H2
InChIKeyWGYTWIGZWJDASE-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.74
Rot. Bonds8

About 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline

2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline (PubChem CID 141088593) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline.

Molecular Properties

Compound Name2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
PubChem CID141088593
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1CNCCOc1cccc2ccccc12
InChIInChI=1S/C25H24N2OS/c26-22-12-4-6-15-25(22)29-24-14-5-2-9-20(24)18-27-16-17-28-23-13-7-10-19-8-1-3-11-21(19)23/h1-15,27H,16-18,26H2
InChIKeyWGYTWIGZWJDASE-UHFFFAOYSA-N
XLogP5.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 141088604
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572
2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
CID 23291448
N-(furan-3-ylmethyl)-2-naphthalen-1-yloxyethanamine
CID 62571544
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
(naphthalen-1-yloxymethylamino)methanol
CID 54336494
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline?
The IUPAC name of 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline (CID 141088593) is 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline.
What is the SMILES notation for 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline?
The canonical SMILES for 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline is Nc1ccccc1Sc1ccccc1CNCCOc1cccc2ccccc12.
What is the InChIKey of 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline?
The InChIKey is WGYTWIGZWJDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c26-22-12-4-6-15-25(22)29-24-14-5-2-9-20(24)18-27-16-17-28-23-13-7-10-19-8-1-3-11-21(19)23/h1-15,27H,16-18,26H2.
What are the key properties of 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline?
2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline has a molecular weight of 400.55 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline is sourced from PubChem (CID 141088593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).