1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine

C21H35ClN2O — CID 70511556

IUPAC1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine
SMILESC1COCCN1.CCN(CC)C1(c2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C17H26ClN.C4H9NO/c1-4-19(5-2)17(12-6-7-14(3)13-17)15-8-10-16(18)11-9-15;1-3-6-4-2-5-1/h8-11,14H,4-7,12-13H2,1-3H3;5H,1-4H2
InChIKeyNJDGJEPSHANYLX-UHFFFAOYSA-N
MW366.98 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine

1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine (PubChem CID 70511556) has the molecular formula C21H35ClN2O and a molecular weight of 366.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine
PubChem CID70511556
Molecular FormulaC21H35ClN2O
Molecular Weight366.98 g/mol
Exact Mass366.24
IUPAC Name1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine
SMILESC1COCCN1.CCN(CC)C1(c2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C17H26ClN.C4H9NO/c1-4-19(5-2)17(12-6-7-14(3)13-17)15-8-10-16(18)11-9-15;1-3-6-4-2-5-1/h8-11,14H,4-7,12-13H2,1-3H3;5H,1-4H2
InChIKeyNJDGJEPSHANYLX-UHFFFAOYSA-N
XLogP4.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[2-[2-[2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 118109114
N-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118109288
2-[2-[2-[2-[2-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 118109321
2-[4-[[1-(4-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572033
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
4-[Bis(4-chlorophenyl)methyl]morpholine
CID 458463
3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767408
Morpholine, 4-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-
CID 90292
Morpholine, 4-(2-(N-(alpha-(p-chlorophenyl)benzyl)-N-methylamino)ethyl)-
CID 90995
Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(2-(2-hydroxyethoxy)ethyl)-
CID 91051
Morpholine, 4-(2-((4-chloro-alpha-(p-chlorophenyl)phenethyl)amino)ethyl)-, hydrochloride
CID 3052530

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine (CID 70511556) is 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine is C1COCCN1.CCN(CC)C1(c2ccc(Cl)cc2)CCCC(C)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine?
The InChIKey is NJDGJEPSHANYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN.C4H9NO/c1-4-19(5-2)17(12-6-7-14(3)13-17)15-8-10-16(18)11-9-15;1-3-6-4-2-5-1/h8-11,14H,4-7,12-13H2,1-3H3;5H,1-4H2.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine?
1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine has a molecular weight of 366.98 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine is sourced from PubChem (CID 70511556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).