(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine

C20H20BrN — CID 72708650

IUPAC(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN/c1-15(22(2)14-16-10-12-18(21)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyACCOTZWYQNXIJQ-OAHLLOKOSA-N
MW354.29 g/mol
LogP5.80
Rot. Bonds4

About (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine

(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 72708650) has the molecular formula C20H20BrN and a molecular weight of 354.29 g/mol. Its IUPAC name is (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID72708650
Molecular FormulaC20H20BrN
Molecular Weight354.29 g/mol
Exact Mass353.08
IUPAC Name(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN/c1-15(22(2)14-16-10-12-18(21)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyACCOTZWYQNXIJQ-OAHLLOKOSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine (CID 72708650) is (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is ACCOTZWYQNXIJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20BrN/c1-15(22(2)14-16-10-12-18(21)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine?
(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 354.29 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 72708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).