4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine

C17H25ClN2O — CID 175191691

IUPAC4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2
InChIKeyJNVCAYYZLZWSHJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.85
Rot. Bonds3

About 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine

4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine (PubChem CID 175191691) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
PubChem CID175191691
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2
InChIKeyJNVCAYYZLZWSHJ-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S,9aR)-7-[(4-chlorophenyl)methyl]-8-piperidin-4-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155765909
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
CID 118991797
[(3S)-3-[(4-chlorophenyl)methyl]morpholin-4-yl] thiohypoiodite;formic acid
CID 145267923
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
CID 170197390
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
3-[4-[(7S,9aR)-7-[(4-chlorophenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155765771
(7S,9aR)-7-[(4-chlorophenyl)methyl]-8-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 169321023
(3R,4S)-3-[(4-chlorophenyl)methyl]oxane-4-thiol
CID 97169900
2-benzyl-1-cyclopropylpiperidin-4-amine
CID 68576010
tert-butyl 4-[7-[(4-chlorophenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]piperidine-1-carboxylate;ethane
CID 155577050
3-[4-[5-[(4-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155576976
3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155765819

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine (CID 175191691) is 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine is NC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The InChIKey is JNVCAYYZLZWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2.
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine has a molecular weight of 308.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 175191691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).