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

C19H28ClNO — CID 153338488

IUPACN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESClc1ccccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H28ClNO/c20-19-4-2-1-3-18(19)16-7-5-15(6-8-16)9-12-21-17-10-13-22-14-11-17/h1-4,15-17,21H,5-14H2
InChIKeyCWSNOTVDMALUQE-UHFFFAOYSA-N
MW321.89 g/mol
LogP4.77
Rot. Bonds5

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

N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338488) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338488
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC NameN-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESClc1ccccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H28ClNO/c20-19-4-2-1-3-18(19)16-7-5-15(6-8-16)9-12-21-17-10-13-22-14-11-17/h1-4,15-17,21H,5-14H2
InChIKeyCWSNOTVDMALUQE-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 54.77
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]oxan-4-amine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338488) is N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine is Clc1ccccc1C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is CWSNOTVDMALUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO/c20-19-4-2-1-3-18(19)16-7-5-15(6-8-16)9-12-21-17-10-13-22-14-11-17/h1-4,15-17,21H,5-14H2.
What are the key properties of N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(2-chlorophenyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 321.89 g/mol, XLogP of 4.77, 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]oxan-4-amine is sourced from PubChem (CID 153338488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).