N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine

C24H27NS — CID 139821189

IUPACN-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)c2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C24H27NS/c1-19(21-14-15-26-18-21)16-25(4)17-20-10-12-23(13-11-20)24(2,3)22-8-6-5-7-9-22/h5-15,18H,1,16-17H2,2-4H3
InChIKeyVKWXAVXRPFUDIO-UHFFFAOYSA-N
MW361.55 g/mol
LogP6.22
Rot. Bonds7

About N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine

N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine (PubChem CID 139821189) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine
PubChem CID139821189
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC NameN-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)c2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C24H27NS/c1-19(21-14-15-26-18-21)16-25(4)17-20-10-12-23(13-11-20)24(2,3)22-8-6-5-7-9-22/h5-15,18H,1,16-17H2,2-4H3
InChIKeyVKWXAVXRPFUDIO-UHFFFAOYSA-N
XLogP6.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 139921620
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 18333869
3-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzonitrile
CID 18333905
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
CID 18333919
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 18333856
3-but-1-en-2-ylthiophene
CID 91086928
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine?
The IUPAC name of N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine (CID 139821189) is N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine is C=C(CN(C)Cc1ccc(C(C)(C)c2ccccc2)cc1)c1ccsc1.
What is the InChIKey of N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine?
The InChIKey is VKWXAVXRPFUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c1-19(21-14-15-26-18-21)16-25(4)17-20-10-12-23(13-11-20)24(2,3)22-8-6-5-7-9-22/h5-15,18H,1,16-17H2,2-4H3.
What are the key properties of N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine?
N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine has a molecular weight of 361.55 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine is sourced from PubChem (CID 139821189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).