N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine

C15H24N2S — CID 43296917

IUPACN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
SMILESCC(C)NCc1ccccc1N(C)C1CCSC1
InChIInChI=1S/C15H24N2S/c1-12(2)16-10-13-6-4-5-7-15(13)17(3)14-8-9-18-11-14/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyJEKDPIKFAIZKSZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine

N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine (PubChem CID 43296917) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
PubChem CID43296917
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
SMILESCC(C)NCc1ccccc1N(C)C1CCSC1
InChIInChI=1S/C15H24N2S/c1-12(2)16-10-13-6-4-5-7-15(13)17(3)14-8-9-18-11-14/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyJEKDPIKFAIZKSZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
CID 78939608
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-[4-bromo-2-(methylaminomethyl)phenyl]-N-methylthiolan-3-amine
CID 114061750
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
CID 62421861
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-[2-(2-aminoethyl)-4-methylphenyl]-N-methylthiolan-3-amine
CID 114055297
3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol
CID 102864690
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine (CID 43296917) is N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine is CC(C)NCc1ccccc1N(C)C1CCSC1.
What is the InChIKey of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine?
The InChIKey is JEKDPIKFAIZKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(2)16-10-13-6-4-5-7-15(13)17(3)14-8-9-18-11-14/h4-7,12,14,16H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine?
N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine has a molecular weight of 264.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine is sourced from PubChem (CID 43296917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).