N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine

C14H21NOS — CID 54865516

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
SMILESCc1cc(OC(C)C)ccc1NC1CCSC1
InChIInChI=1S/C14H21NOS/c1-10(2)16-13-4-5-14(11(3)8-13)15-12-6-7-17-9-12/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyNHNKXAGUACIDDK-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.70
Rot. Bonds4

About N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine

N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine (PubChem CID 54865516) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
PubChem CID54865516
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
SMILESCc1cc(OC(C)C)ccc1NC1CCSC1
InChIInChI=1S/C14H21NOS/c1-10(2)16-13-4-5-14(11(3)8-13)15-12-6-7-17-9-12/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyNHNKXAGUACIDDK-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
N-(2-methyl-4-propan-2-yloxyphenyl)-1-oxothian-4-amine
CID 54981487
4-N,4-N,2-trimethyl-1-N-(thiolan-3-yl)benzene-1,4-diamine
CID 43676939
2,2-dimethyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-dioxan-5-amine
CID 106658628
N-(2-methyl-4-propan-2-yloxyphenyl)-1,1-dioxothian-3-amine
CID 63922032
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
methyl 3-methyl-4-(thian-3-ylamino)benzoate
CID 62871262
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313
N-(2-methoxy-4-methylphenyl)thiolan-3-amine
CID 60932234

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine (CID 54865516) is N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine is Cc1cc(OC(C)C)ccc1NC1CCSC1.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine?
The InChIKey is NHNKXAGUACIDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)16-13-4-5-14(11(3)8-13)15-12-6-7-17-9-12/h4-5,8,10,12,15H,6-7,9H2,1-3H3.
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine?
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine is sourced from PubChem (CID 54865516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).