4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

C20H21Cl2NO — CID 44608252

IUPAC4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESClc1ccc([C@@H]2CC[C@H](N3CCOCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-18-7-5-14(13-19(18)22)15-6-8-20(23-9-11-24-12-10-23)17-4-2-1-3-16(15)17/h1-5,7,13,15,20H,6,8-12H2/t15-,20-/m0/s1
InChIKeyBWBXVVVNNVCOJG-YWZLYKJASA-N
MW362.30 g/mol
LogP5.29
Rot. Bonds2

About 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (PubChem CID 44608252) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.

Molecular Properties

Compound Name4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
PubChem CID44608252
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESClc1ccc([C@@H]2CC[C@H](N3CCOCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-18-7-5-14(13-19(18)22)15-6-8-20(23-9-11-24-12-10-23)17-4-2-1-3-16(15)17/h1-5,7,13,15,20H,6,8-12H2/t15-,20-/m0/s1
InChIKeyBWBXVVVNNVCOJG-YWZLYKJASA-N
XLogP5.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The IUPAC name of 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (CID 44608252) is 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.
What is the SMILES notation for 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The canonical SMILES for 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is Clc1ccc([C@@H]2CC[C@H](N3CCOCC3)c3ccccc32)cc1Cl.
What is the InChIKey of 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The InChIKey is BWBXVVVNNVCOJG-YWZLYKJASA-N. The full InChI is InChI=1S/C20H21Cl2NO/c21-18-7-5-14(13-19(18)22)15-6-8-20(23-9-11-24-12-10-23)17-4-2-1-3-16(15)17/h1-5,7,13,15,20H,6,8-12H2/t15-,20-/m0/s1.
What are the key properties of 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine has a molecular weight of 362.30 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is sourced from PubChem (CID 44608252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).