N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine

C20H30ClNO — CID 153338604

IUPACN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCC1(NCCC2CCC(c3ccccc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H30ClNO/c1-20(11-14-23-15-12-20)22-13-10-16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-5,16-17,22H,6-15H2,1H3
InChIKeyBXAUORVSDPLMAR-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.16
Rot. Bonds5

About N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine

N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (PubChem CID 153338604) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
PubChem CID153338604
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC NameN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCC1(NCCC2CCC(c3ccccc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H30ClNO/c1-20(11-14-23-15-12-20)22-13-10-16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-5,16-17,22H,6-15H2,1H3
InChIKeyBXAUORVSDPLMAR-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (CID 153338604) is N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine is CC1(NCCC2CCC(c3ccccc3Cl)CC2)CCOCC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The InChIKey is BXAUORVSDPLMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-20(11-14-23-15-12-20)22-13-10-16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-5,16-17,22H,6-15H2,1H3.
What are the key properties of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine has a molecular weight of 335.92 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine is sourced from PubChem (CID 153338604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).