N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine

C19H23NOS — CID 75420160

IUPACN-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
SMILESCOc1ccccc1C(NC1CCSCC1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-21-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)20-16-11-13-22-14-12-16/h2-10,16,19-20H,11-14H2,1H3
InChIKeyZDKORRXGMUSUOW-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.27
Rot. Bonds5

About N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine

N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine (PubChem CID 75420160) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
PubChem CID75420160
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
SMILESCOc1ccccc1C(NC1CCSCC1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-21-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)20-16-11-13-22-14-12-16/h2-10,16,19-20H,11-14H2,1H3
InChIKeyZDKORRXGMUSUOW-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]thian-4-amine
CID 119110737
N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
CID 103779604
ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
CID 97335093
ethyl 3-[4-[[(S)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
CID 97335092
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
4-[phenyl-(thiolan-3-ylamino)methyl]phenol
CID 103603296
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine (CID 75420160) is N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine is COc1ccccc1C(NC1CCSCC1)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine?
The InChIKey is ZDKORRXGMUSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-21-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)20-16-11-13-22-14-12-16/h2-10,16,19-20H,11-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine?
N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine has a molecular weight of 313.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine is sourced from PubChem (CID 75420160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).