(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine

C16H20ClN3O — CID 42511055

IUPAC(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClN3O/c1-19-7-6-18-16(19)12-20-8-9-21-14(11-20)10-13-4-2-3-5-15(13)17/h2-7,14H,8-12H2,1H3/t14-/m0/s1
InChIKeyVQBHAKBJBBPTRV-AWEZNQCLSA-N
MW305.81 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine

(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (PubChem CID 42511055) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
PubChem CID42511055
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClN3O/c1-19-7-6-18-16(19)12-20-8-9-21-14(11-20)10-13-4-2-3-5-15(13)17/h2-7,14H,8-12H2,1H3/t14-/m0/s1
InChIKeyVQBHAKBJBBPTRV-AWEZNQCLSA-N
XLogP2.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
2-[(5-chloro-2-pyridinyl)oxymethyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 3742287
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
1-[(1-methylimidazol-2-yl)methyl]-4-[2-(2-methylphenyl)ethyl]piperazine
CID 46984988
(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
CID 26403575
5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
CID 95553756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (CID 42511055) is (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is Cn1ccnc1CN1CCO[C@@H](Cc2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The InChIKey is VQBHAKBJBBPTRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-19-7-6-18-16(19)12-20-8-9-21-14(11-20)10-13-4-2-3-5-15(13)17/h2-7,14H,8-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine has a molecular weight of 305.81 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 42511055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).