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

C17H17Cl2N — CID 53320779

IUPAC[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESNC[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1
InChIKeyAUOZLNRXVPELRP-NHYWBVRUSA-N
MW306.24 g/mol
LogP4.65
Rot. Bonds2

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

[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 53320779) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID53320779
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESNC[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1
InChIKeyAUOZLNRXVPELRP-NHYWBVRUSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 53320779) is [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is NC[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is AUOZLNRXVPELRP-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1.
What are the key properties of [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
[(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 306.24 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 53320779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).