(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine

C19H18BrN — CID 81357004

IUPAC(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN/c1-14(15-9-11-18(20)12-10-15)21-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyMPRYJQSETKVIAI-CQSZACIVSA-N
MW340.26 g/mol
LogP5.45
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine

(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 81357004) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID81357004
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN/c1-14(15-9-11-18(20)12-10-15)21-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyMPRYJQSETKVIAI-CQSZACIVSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81356463
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 81357004) is (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine is C[C@@H](NCc1cccc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is MPRYJQSETKVIAI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18BrN/c1-14(15-9-11-18(20)12-10-15)21-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,14,21H,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine?
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 340.26 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 81357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).