N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine

C15H21ClN2O — CID 50970392

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
SMILESClc1cccc(NC2CCOCC2)c1N1CCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-4-3-5-14(15(13)18-8-1-2-9-18)17-12-6-10-19-11-7-12/h3-5,12,17H,1-2,6-11H2
InChIKeySUGRXOGKERQNIR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.53
Rot. Bonds3

About N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine

N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine (PubChem CID 50970392) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
PubChem CID50970392
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
SMILESClc1cccc(NC2CCOCC2)c1N1CCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-4-3-5-14(15(13)18-8-1-2-9-18)17-12-6-10-19-11-7-12/h3-5,12,17H,1-2,6-11H2
InChIKeySUGRXOGKERQNIR-UHFFFAOYSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chlorophenyl)oxepan-4-amine
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N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
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N-(3-chloro-2-nitrophenyl)oxan-4-amine
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N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
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N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 43682374
N-benzyl-3-chloro-2-morpholin-4-ylaniline
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine (CID 50970392) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine is Clc1cccc(NC2CCOCC2)c1N1CCCC1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine?
The InChIKey is SUGRXOGKERQNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-4-3-5-14(15(13)18-8-1-2-9-18)17-12-6-10-19-11-7-12/h3-5,12,17H,1-2,6-11H2.
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine is sourced from PubChem (CID 50970392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).