1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine

C14H23NOS — CID 64655218

IUPAC1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)S(C)=O
InChIInChI=1S/C14H23NOS/c1-5-10-15-14(12(3)17(4)16)13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyDPHSUCARTSKMJP-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds6

About 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine

1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine (PubChem CID 64655218) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
PubChem CID64655218
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)S(C)=O
InChIInChI=1S/C14H23NOS/c1-5-10-15-14(12(3)17(4)16)13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyDPHSUCARTSKMJP-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63468182
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
3-[1-(4-methylphenyl)-1-(propylamino)propan-2-yl]sulfanylbutan-1-ol
CID 66136881
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
3-(4-propan-2-ylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64659532
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
CID 64627775
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63866567
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine (CID 64655218) is 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine is CCCNC(c1ccc(C)cc1)C(C)S(C)=O.
What is the InChIKey of 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine?
The InChIKey is DPHSUCARTSKMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-10-15-14(12(3)17(4)16)13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine?
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine is sourced from PubChem (CID 64655218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).