1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine

C23H31NS — CID 69154432

IUPAC1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCc1ccc(Sc2ccccc2CNC(C)CC2CCCCC2)cc1
InChIInChI=1S/C23H31NS/c1-18-12-14-22(15-13-18)25-23-11-7-6-10-21(23)17-24-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,24H,3-5,8-9,16-17H2,1-2H3
InChIKeyGVWDQBVLAOWJCR-UHFFFAOYSA-N
MW353.58 g/mol
LogP6.59
Rot. Bonds7

About 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine (PubChem CID 69154432) has the molecular formula C23H31NS and a molecular weight of 353.58 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
PubChem CID69154432
Molecular FormulaC23H31NS
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCc1ccc(Sc2ccccc2CNC(C)CC2CCCCC2)cc1
InChIInChI=1S/C23H31NS/c1-18-12-14-22(15-13-18)25-23-11-7-6-10-21(23)17-24-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,24H,3-5,8-9,16-17H2,1-2H3
InChIKeyGVWDQBVLAOWJCR-UHFFFAOYSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
1-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-propan-2-ylthiourea
CID 89312440
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
N-[[2-(cyclopentylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63813937
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 68948948
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine (CID 69154432) is 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine is Cc1ccc(Sc2ccccc2CNC(C)CC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine?
The InChIKey is GVWDQBVLAOWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NS/c1-18-12-14-22(15-13-18)25-23-11-7-6-10-21(23)17-24-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,24H,3-5,8-9,16-17H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine has a molecular weight of 353.58 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 69154432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).