N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine

C21H29NO3S — CID 166237258

IUPACN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
SMILESCOc1ccccc1-c1ccc(C(C)NCCC(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H29NO3S/c1-16(22-15-14-21(2,3)26(5,23)24)17-10-12-18(13-11-17)19-8-6-7-9-20(19)25-4/h6-13,16,22H,14-15H2,1-5H3
InChIKeyFMPRCUDWEXIHQA-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.23
Rot. Bonds8

About N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine (PubChem CID 166237258) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
PubChem CID166237258
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
SMILESCOc1ccccc1-c1ccc(C(C)NCCC(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H29NO3S/c1-16(22-15-14-21(2,3)26(5,23)24)17-10-12-18(13-11-17)19-8-6-7-9-20(19)25-4/h6-13,16,22H,14-15H2,1-5H3
InChIKeyFMPRCUDWEXIHQA-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79559232
2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976401
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
N-[1-(4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552508

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine (CID 166237258) is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine is COc1ccccc1-c1ccc(C(C)NCCC(C)(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine?
The InChIKey is FMPRCUDWEXIHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-16(22-15-14-21(2,3)26(5,23)24)17-10-12-18(13-11-17)19-8-6-7-9-20(19)25-4/h6-13,16,22H,14-15H2,1-5H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine?
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine has a molecular weight of 375.53 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine is sourced from PubChem (CID 166237258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).