(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20BrN — CID 166638656

IUPAC(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1
InChIInChI=1S/C18H20BrN/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13/h3-10,16,18H,11-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyPCLYKAGGELJIIV-AEFFLSMTSA-N
MW330.27 g/mol
LogP4.46
Rot. Bonds2

About (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 166638656) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID166638656
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1
InChIInChI=1S/C18H20BrN/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13/h3-10,16,18H,11-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyPCLYKAGGELJIIV-AEFFLSMTSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 166638656) is (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1.
What is the InChIKey of (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PCLYKAGGELJIIV-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H20BrN/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13/h3-10,16,18H,11-12H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 330.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 166638656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).