N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine

C14H23NS — CID 63809900

IUPACN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)CSc1ccccc1CNC(C)C
InChIInChI=1S/C14H23NS/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyZNNZBRUGOCQKOU-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.93
Rot. Bonds6

About N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine

N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 63809900) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID63809900
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)CSc1ccccc1CNC(C)C
InChIInChI=1S/C14H23NS/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyZNNZBRUGOCQKOU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]propan-2-amine
CID 153302381
N-[(2-butylsulfanylphenyl)methyl]propan-2-amine
CID 63809951
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[[2-(cyclopentylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63813937
1-(2-methylpropylsulfanyl)-2-prop-2-enylbenzene
CID 91655457
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 15175680
3-[2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropane-1,2-diol
CID 79670453
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine (CID 63809900) is N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)CSc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is ZNNZBRUGOCQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).