N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine

C16H24N2O — CID 43682374

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
SMILESCc1cc(N2CCCC2)ccc1NC1CCOCC1
InChIInChI=1S/C16H24N2O/c1-13-12-15(18-8-2-3-9-18)4-5-16(13)17-14-6-10-19-11-7-14/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyWRCLHRIJMRFSLT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.19
Rot. Bonds3

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine

N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine (PubChem CID 43682374) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
PubChem CID43682374
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
SMILESCc1cc(N2CCCC2)ccc1NC1CCOCC1
InChIInChI=1S/C16H24N2O/c1-13-12-15(18-8-2-3-9-18)4-5-16(13)17-14-6-10-19-11-7-14/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyWRCLHRIJMRFSLT-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 64734134
1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80559606
5,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thian-3-amine
CID 79953476
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 102670992
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine
CID 166909676
N,3-dimethyl-4-(oxepan-4-ylamino)benzamide
CID 65081443
methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 50970392
N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676380
N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 115916530

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine (CID 43682374) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine is Cc1cc(N2CCCC2)ccc1NC1CCOCC1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine?
The InChIKey is WRCLHRIJMRFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-12-15(18-8-2-3-9-18)4-5-16(13)17-14-6-10-19-11-7-14/h4-5,12,14,17H,2-3,6-11H2,1H3.
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine is sourced from PubChem (CID 43682374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).