2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline

C19H23NS — CID 43737712

IUPAC2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1ccccc1SC1CCCC1
InChIInChI=1S/C19H23NS/c1-15-8-2-3-9-16(15)14-20-18-12-6-7-13-19(18)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3
InChIKeyBLBKMAANBCTWCI-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.64
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline

2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 43737712) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID43737712
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1ccccc1SC1CCCC1
InChIInChI=1S/C19H23NS/c1-15-8-2-3-9-16(15)14-20-18-12-6-7-13-19(18)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3
InChIKeyBLBKMAANBCTWCI-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylsulfanylanilino)methyl]aniline
CID 66419014
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
2-cyclopentylsulfanyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756644
2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
CID 63447163
2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
CID 63204180
N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441748
2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
N-[(5-bromothiophen-2-yl)methyl]-2-cyclopentylsulfanylaniline
CID 43737743
2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755248
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826
N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
CID 63813023
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline (CID 43737712) is 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CNc1ccccc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is BLBKMAANBCTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-15-8-2-3-9-16(15)14-20-18-12-6-7-13-19(18)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline?
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 297.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 43737712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).