N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine

C19H24N2OS — CID 145471419

IUPACN-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Sc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-20(15-17-5-3-2-4-6-17)23-19-9-7-18(8-10-19)16-21-11-13-22-14-12-21/h2-10H,11-16H2,1H3
InChIKeyTVNRFWUVNXBWSG-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine

N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine (PubChem CID 145471419) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine
PubChem CID145471419
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Sc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-20(15-17-5-3-2-4-6-17)23-19-9-7-18(8-10-19)16-21-11-13-22-14-12-21/h2-10H,11-16H2,1H3
InChIKeyTVNRFWUVNXBWSG-UHFFFAOYSA-N
XLogP3.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(dimethylaminosulfanyl)piperazin-1-yl]methyl]phenyl]sulfanyl-N-methyl-1-phenylmethanamine
CID 145471473
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
dilithium;4-benzylmorpholine;sulfite
CID 160525639
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine (CID 145471419) is N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine is CN(Cc1ccccc1)Sc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine?
The InChIKey is TVNRFWUVNXBWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20(15-17-5-3-2-4-6-17)23-19-9-7-18(8-10-19)16-21-11-13-22-14-12-21/h2-10H,11-16H2,1H3.
What are the key properties of N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine?
N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine has a molecular weight of 328.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]sulfanyl-1-phenylmethanamine is sourced from PubChem (CID 145471419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).