N-(3-chloro-4-ethylphenyl)oxan-4-amine

C13H18ClNO — CID 118362486

IUPACN-(3-chloro-4-ethylphenyl)oxan-4-amine
SMILESCCc1ccc(NC2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-2-10-3-4-12(9-13(10)14)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyCBXMRRWHYGVOGH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.49
Rot. Bonds3

About N-(3-chloro-4-ethylphenyl)oxan-4-amine

N-(3-chloro-4-ethylphenyl)oxan-4-amine (PubChem CID 118362486) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(3-chloro-4-ethylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-ethylphenyl)oxan-4-amine
PubChem CID118362486
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(3-chloro-4-ethylphenyl)oxan-4-amine
SMILESCCc1ccc(NC2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-2-10-3-4-12(9-13(10)14)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyCBXMRRWHYGVOGH-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-3-nitrophenyl)oxolan-3-amine
CID 63335802
N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
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CID 62948116
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
4-N-(oxan-4-yl)benzene-1,2,4-triamine
CID 106750455
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
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N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethylphenyl)oxan-4-amine?
The IUPAC name of N-(3-chloro-4-ethylphenyl)oxan-4-amine (CID 118362486) is N-(3-chloro-4-ethylphenyl)oxan-4-amine.
What is the SMILES notation for N-(3-chloro-4-ethylphenyl)oxan-4-amine?
The canonical SMILES for N-(3-chloro-4-ethylphenyl)oxan-4-amine is CCc1ccc(NC2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethylphenyl)oxan-4-amine?
The InChIKey is CBXMRRWHYGVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-10-3-4-12(9-13(10)14)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3.
What are the key properties of N-(3-chloro-4-ethylphenyl)oxan-4-amine?
N-(3-chloro-4-ethylphenyl)oxan-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethylphenyl)oxan-4-amine is sourced from PubChem (CID 118362486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).