N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine

C18H23NOS — CID 64658471

IUPACN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)S(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-4-19-18(16-8-6-5-7-9-16)15(3)21(20)17-12-10-14(2)11-13-17/h5-13,15,18-19H,4H2,1-3H3
InChIKeyHRTIDGQNLYEWDF-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.84
Rot. Bonds6

About N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine

N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine (PubChem CID 64658471) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
PubChem CID64658471
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)S(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-4-19-18(16-8-6-5-7-9-16)15(3)21(20)17-12-10-14(2)11-13-17/h5-13,15,18-19H,4H2,1-3H3
InChIKeyHRTIDGQNLYEWDF-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
CID 64655218
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-3-methyl-2-(2-methylbutylsulfinyl)-1-phenylbutan-1-amine
CID 107759910
N-ethyl-3-methyl-2-pentylsulfinyl-1-phenylbutan-1-amine
CID 107758792
N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651121
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
3-(ethylamino)-2,3-diphenylpropanoic acid
CID 50877823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine (CID 64658471) is N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)S(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine?
The InChIKey is HRTIDGQNLYEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-19-18(16-8-6-5-7-9-16)15(3)21(20)17-12-10-14(2)11-13-17/h5-13,15,18-19H,4H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine?
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64658471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).