N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine

C16H26N2S — CID 102671075

IUPACN-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
SMILESCCN(CC)Cc1cccc(NC2CCSC2C)c1
InChIInChI=1S/C16H26N2S/c1-4-18(5-2)12-14-7-6-8-15(11-14)17-16-9-10-19-13(16)3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3
InChIKeySFMSGUQBEBRCTR-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.83
Rot. Bonds6

About N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine

N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine (PubChem CID 102671075) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
PubChem CID102671075
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
SMILESCCN(CC)Cc1cccc(NC2CCSC2C)c1
InChIInChI=1S/C16H26N2S/c1-4-18(5-2)12-14-7-6-8-15(11-14)17-16-9-10-19-13(16)3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3
InChIKeySFMSGUQBEBRCTR-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
[3-[(2-methylthian-3-yl)amino]phenyl]methanol
CID 79957294
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
CID 43787408
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165
N-[2-(diethylaminomethyl)phenyl]-2-methylthian-3-amine
CID 79956755
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine (CID 102671075) is N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine is CCN(CC)Cc1cccc(NC2CCSC2C)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine?
The InChIKey is SFMSGUQBEBRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-18(5-2)12-14-7-6-8-15(11-14)17-16-9-10-19-13(16)3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine?
N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).