N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine

C19H23NS — CID 103779604

IUPACN-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
SMILESCc1ccc(C)c(C(NC2CCSC2)c2ccccc2)c1
InChIInChI=1S/C19H23NS/c1-14-8-9-15(2)18(12-14)19(16-6-4-3-5-7-16)20-17-10-11-21-13-17/h3-9,12,17,19-20H,10-11,13H2,1-2H3
InChIKeyARKQVOKVRHWFNP-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.49
Rot. Bonds4

About N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine

N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine (PubChem CID 103779604) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
PubChem CID103779604
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
SMILESCc1ccc(C)c(C(NC2CCSC2)c2ccccc2)c1
InChIInChI=1S/C19H23NS/c1-14-8-9-15(2)18(12-14)19(16-6-4-3-5-7-16)20-17-10-11-21-13-17/h3-9,12,17,19-20H,10-11,13H2,1-2H3
InChIKeyARKQVOKVRHWFNP-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
4-[phenyl-(thiolan-3-ylamino)methyl]phenol
CID 103603296
N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
CID 75420160
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
1-(2,5-dimethylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131699
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171
(3R)-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]thiolan-3-amine
CID 97322218
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
CID 82710589
3-[[(2,5-dimethylphenyl)-phenylmethyl]amino]propanoic acid
CID 43322308

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine (CID 103779604) is N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine is Cc1ccc(C)c(C(NC2CCSC2)c2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine?
The InChIKey is ARKQVOKVRHWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14-8-9-15(2)18(12-14)19(16-6-4-3-5-7-16)20-17-10-11-21-13-17/h3-9,12,17,19-20H,10-11,13H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine?
N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine has a molecular weight of 297.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine is sourced from PubChem (CID 103779604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).